N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine

C127H102F21N17O15 — CID 159262421

About N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine

N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 159262421) has the molecular formula C127H102F21N17O15 and a molecular weight of 2505.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine
• PubChem CID: 159262421
• Molecular Formula: C127H102F21N17O15
• Molecular Weight: 2505.27 g/mol
• Exact Mass: 2503.74
• IUPAC Name: N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine
• SMILES: C=C1CC[C@H](CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)N1.CC(C)Nc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CN(C)c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cccc(CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4ccnc4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(N4CCOCC4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCC4CC4)c3c2)cc1
• InChI: InChI=1S/C21H16F3N3O2.C20H18F3N3O2.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2.C17H15F3N2O2.C16H13F3N2O2/c1-13-3-2-4-16(26-13)12-25-20-18-11-15(7-10-19(18)29-27-20)14-5-8-17(9-6-14)28-21(22,23)24;1-12-2-6-15(25-12)11-24-19-17-10-14(5-9-18(17)28-26-19)13-3-7-16(8-4-13)27-20(21,22)23;19-18(20,21)25-14-4-1-12(2-5-14)13-3-6-16-15(11-13)17(22-26-16)23-7-9-24-10-8-23;19-18(20,21)24-14-6-3-12(4-7-14)13-5-8-16-15(9-13)17(23-25-16)22-10-11-1-2-11;18-17(19,20)24-13-4-1-11(2-5-13)12-3-6-15-14(9-12)16(22-25-15)23-8-7-21-10-23;1-10(2)21-16-14-9-12(5-8-15(14)24-22-16)11-3-6-13(7-4-11)23-17(18,19)20;1-21(2)15-13-9-11(5-8-14(13)23-20-15)10-3-6-12(7-4-10)22-16(17,18)19/h2-11H,12H2,1H3,(H,25,27);3-5,7-10,15,25H,1-2,6,11H2,(H,24,26);1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H;3-10H,1-2H3,(H,21,22);3-9H,1-2H3/t;15-;;;;;/m.1...../s1
• InChIKey: KWRIBDGPXIJEKK-NIHDXEJESA-N
• XLogP: 34.48
• TPSA: 353.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.27
LogP ≤ 5	34.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine?

The IUPAC name of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine (CID 159262421) is N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine.

What is the SMILES notation for N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine?

The canonical SMILES for N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine is C=C1CC[C@H](CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)N1.CC(C)Nc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CN(C)c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.Cc1cccc(CNc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(-n4ccnc4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(N4CCOCC4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(NCC4CC4)c3c2)cc1.

What is the InChIKey of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine?

The InChIKey is KWRIBDGPXIJEKK-NIHDXEJESA-N. The full InChI is InChI=1S/C21H16F3N3O2.C20H18F3N3O2.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2.C17H15F3N2O2.C16H13F3N2O2/c1-13-3-2-4-16(26-13)12-25-20-18-11-15(7-10-19(18)29-27-20)14-5-8-17(9-6-14)28-21(22,23)24;1-12-2-6-15(25-12)11-24-19-17-10-14(5-9-18(17)28-26-19)13-3-7-16(8-4-13)27-20(21,22)23;19-18(20,21)25-14-4-1-12(2-5-14)13-3-6-16-15(11-13)17(22-26-16)23-7-9-24-10-8-23;19-18(20,21)24-14-6-3-12(4-7-14)13-5-8-16-15(9-13)17(23-25-16)22-10-11-1-2-11;18-17(19,20)24-13-4-1-11(2-5-13)12-3-6-15-14(9-12)16(22-25-15)23-8-7-21-10-23;1-10(2)21-16-14-9-12(5-8-15(14)24-22-16)11-3-6-13(7-4-11)23-17(18,19)20;1-21(2)15-13-9-11(5-8-14(13)23-20-15)10-3-6-12(7-4-10)22-16(17,18)19/h2-11H,12H2,1H3,(H,25,27);3-5,7-10,15,25H,1-2,6,11H2,(H,24,26);1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H;3-10H,1-2H3,(H,21,22);3-9H,1-2H3/t;15-;;;;;/m.1...../s1.

What are the key properties of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine?

N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 2505.27 g/mol, XLogP of 34.48, 28 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 159262421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).