3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

C20H19N3O4 — CID 50842111

IUPAC3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)NC4CC4)c3c2)cc1
InChIInChI=1S/C20H19N3O4/c1-12-2-5-15(6-3-12)22-19(25)13-4-9-17-16(10-13)23(20(26)27-17)11-18(24)21-14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyDTZAOADCCTXJKF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.43
Rot. Bonds5

About 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 50842111) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID50842111
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)NC4CC4)c3c2)cc1
InChIInChI=1S/C20H19N3O4/c1-12-2-5-15(6-3-12)22-19(25)13-4-9-17-16(10-13)23(20(26)27-17)11-18(24)21-14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyDTZAOADCCTXJKF-UHFFFAOYSA-N
XLogP2.43
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842162
N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 32892171
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 50842111) is 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)NC4CC4)c3c2)cc1.
What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is DTZAOADCCTXJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-2-5-15(6-3-12)22-19(25)13-4-9-17-16(10-13)23(20(26)27-17)11-18(24)21-14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 50842111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).