N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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

C110H89F18N15O13 — CID 162151556

About N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 162151556) has the molecular formula C110H89F18N15O13 and a molecular weight of 2170.98 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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: 162151556
• Molecular Formula: C110H89F18N15O13
• Molecular Weight: 2170.98 g/mol
• Exact Mass: 2169.65
• IUPAC Name: N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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: CC(C)Nc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CN1CCN(c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1.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.C19H18F3N3O2.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2.C17H15F3N2O2/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;1-24-8-10-25(11-9-24)18-16-12-14(4-7-17(16)27-23-18)13-2-5-15(6-3-13)26-19(20,21)22;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/h2-11H,12H2,1H3,(H,25,27);2-7,12H,8-11H2,1H3;1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H;3-10H,1-2H3,(H,21,22)
• InChIKey: ZLGWBTGTVBYIKF-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 297.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.98
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 162151556) is N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 CC(C)Nc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CN1CCN(c2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1.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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 ZLGWBTGTVBYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C19H18F3N3O2.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2.C17H15F3N2O2/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;1-24-8-10-25(11-9-24)18-16-12-14(4-7-17(16)27-23-18)13-2-5-15(6-3-13)26-19(20,21)22;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/h2-11H,12H2,1H3,(H,25,27);2-7,12H,8-11H2,1H3;1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H;3-10H,1-2H3,(H,21,22).

What are the key properties of N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 2170.98 g/mol, XLogP of 29.09, 23 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;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 162151556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).