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

C74H56F12N10O9 — CID 159188292

About N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-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-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-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 (PubChem CID 159188292) has the molecular formula C74H56F12N10O9 and a molecular weight of 1457.30 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;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.

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;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
• PubChem CID: 159188292
• Molecular Formula: C74H56F12N10O9
• Molecular Weight: 1457.30 g/mol
• Exact Mass: 1456.40
• IUPAC Name: N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-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
• SMILES: 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.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2/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;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/h2-11H,12H2,1H3,(H,25,27);1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H
• InChIKey: KNTNUAJTGOQPBE-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 208.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.30
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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;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?

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;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 (CID 159188292) is N-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-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.

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;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?

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;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 is 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;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?

The InChIKey is KNTNUAJTGOQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C18H15F3N2O3.C18H15F3N2O2.C17H10F3N3O2/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;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/h2-11H,12H2,1H3,(H,25,27);1-6,11H,7-10H2;3-9,11H,1-2,10H2,(H,22,23);1-10H.

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;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-(cyclopropylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-imidazol-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 has a molecular weight of 1457.30 g/mol, XLogP of 19.73, 16 rotatable bonds, 2 hydrogen bond donors, and 19 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;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 is sourced from PubChem (CID 159188292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).