3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide

C21H17N3O4 — CID 97446304

IUPAC3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)c1
InChIInChI=1S/C21H17N3O4/c1-26-15-4-2-3-14(10-15)22-20(25)13-7-8-18-16(9-13)19(24-28-18)17-11-27-21(23-17)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,25)
InChIKeyUMEUXCSANYREBS-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.62
Rot. Bonds5

About 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide

3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446304) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446304
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)c1
InChIInChI=1S/C21H17N3O4/c1-26-15-4-2-3-14(10-15)22-20(25)13-7-8-18-16(9-13)19(24-28-18)17-11-27-21(23-17)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,25)
InChIKeyUMEUXCSANYREBS-UHFFFAOYSA-N
XLogP4.62
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(5-methyl-2-pyridinyl)-1,2-benzoxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155857530
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide (CID 97446304) is 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide is COc1cccc(NC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)c1.
What is the InChIKey of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is UMEUXCSANYREBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-15-4-2-3-14(10-15)22-20(25)13-7-8-18-16(9-13)19(24-28-18)17-11-27-21(23-17)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,25).
What are the key properties of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide?
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).