4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

C22H23N3O3 — CID 46460476

IUPAC4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccc(NC(=O)C4CC4C)cc3)ccc2o1
InChIInChI=1S/C22H23N3O3/c1-12(2)22-25-18-11-16(8-9-19(18)28-22)24-20(26)14-4-6-15(7-5-14)23-21(27)17-10-13(17)3/h4-9,11-13,17H,10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyDFGOJGQQWVVCEZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.80
Rot. Bonds5

About 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 46460476) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID46460476
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccc(NC(=O)C4CC4C)cc3)ccc2o1
InChIInChI=1S/C22H23N3O3/c1-12(2)22-25-18-11-16(8-9-19(18)28-22)24-20(26)14-4-6-15(7-5-14)23-21(27)17-10-13(17)3/h4-9,11-13,17H,10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyDFGOJGQQWVVCEZ-UHFFFAOYSA-N
XLogP4.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424589
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
CID 167806781
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
CID 82896929
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 46460476) is 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is CC(C)c1nc2cc(NC(=O)c3ccc(NC(=O)C4CC4C)cc3)ccc2o1.
What is the InChIKey of 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is DFGOJGQQWVVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-12(2)22-25-18-11-16(8-9-19(18)28-22)24-20(26)14-4-6-15(7-5-14)23-21(27)17-10-13(17)3/h4-9,11-13,17H,10H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 46460476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).