N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C20H23N3O3 — CID 155871127

IUPACN-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(C(=O)NC2CCc3onc(C(=O)NCC4CC4)c3C2)c1
InChIInChI=1S/C20H23N3O3/c1-12-3-2-4-14(9-12)19(24)22-15-7-8-17-16(10-15)18(23-26-17)20(25)21-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyIAECKLDOANMSMI-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.41
Rot. Bonds5

About N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155871127) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155871127
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(C(=O)NC2CCc3onc(C(=O)NCC4CC4)c3C2)c1
InChIInChI=1S/C20H23N3O3/c1-12-3-2-4-14(9-12)19(24)22-15-7-8-17-16(10-15)18(23-26-17)20(25)21-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyIAECKLDOANMSMI-UHFFFAOYSA-N
XLogP2.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155875836
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-(cyclopropylmethyl)-5-(pyridin-3-ylsulfonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155879912
5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871324
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-cyclooctyl-3-methylbenzamide
CID 966011
N-(furan-2-ylmethyl)-5-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155870774
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28886755
5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155876703
N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
CID 67567267

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155871127) is N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cccc(C(=O)NC2CCc3onc(C(=O)NCC4CC4)c3C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is IAECKLDOANMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-3-2-4-14(9-12)19(24)22-15-7-8-17-16(10-15)18(23-26-17)20(25)21-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155871127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).