3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole — IUPAC name, SMILES, InChIKey & properties

Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (PubChem CID 158743477) has the molecular formula C77H59F6N13O12 and a molecular weight of 1472.39 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.

Molecular Properties

Compound Name	3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
PubChem CID	158743477
Molecular Formula	C77H59F6N13O12
Molecular Weight	1472.39 g/mol
Exact Mass	1471.43
IUPAC Name	3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
SMILES	Cc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.Cc1ccc(-c2ccc3onc(OCc4nnc(C)o4)c3c2)cc1.Cc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1
InChI	InChI=1S/C20H14F3N3O3.C20H17N3O3.C19H13F3N4O3.C18H15N3O3/c1-12-9-13(3-5-16(12)28-20(21,22)23)14-4-6-17-15(10-14)19(26-29-17)27-11-18-24-7-2-8-25-18;1-12-2-4-13(5-3-12)15-8-9-17-16(10-15)20(23-26-17)24-11-18-21-22-19(25-18)14-6-7-14;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16;1-11-3-5-13(6-4-11)14-7-8-16-15(9-14)18(21-24-16)22-10-17-20-19-12(2)23-17/h2-10H,11H2,1H3;2-5,8-10,14H,6-7,11H2,1H3;1-9H,10-11H2;3-9H,10H2,1-2H3
InChIKey	IMPBYYGLHRTVQT-UHFFFAOYSA-N
XLogP	17.99
TPSA	301.79 Å²
H-Bond Donors
H-Bond Acceptors	25
Rotatable Bonds	20
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.39
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Analyze 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (CID 158743477) is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is Cc1cc(-c2ccc3onc(OCc4ncccn4)c3c2)ccc1OC(F)(F)F.Cc1ccc(-c2ccc3onc(OCc4nnc(C)o4)c3c2)cc1.Cc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)o4)c3c2)cc1.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

The InChIKey is IMPBYYGLHRTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3.C20H17N3O3.C19H13F3N4O3.C18H15N3O3/c1-12-9-13(3-5-16(12)28-20(21,22)23)14-4-6-17-15(10-14)19(26-29-17)27-11-18-24-7-2-8-25-18;1-12-2-4-13(5-3-12)15-8-9-17-16(10-15)20(23-26-17)24-11-18-21-22-19(25-18)14-6-7-14;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16;1-11-3-5-13(6-4-11)14-7-8-16-15(9-14)18(21-24-16)22-10-17-20-19-12(2)23-17/h2-10H,11H2,1H3;2-5,8-10,14H,6-7,11H2,1H3;1-9H,10-11H2;3-9H,10H2,1-2H3.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is sourced from PubChem (CID 158743477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).