3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C20H20N2O3 — CID 110411113

IUPAC3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)C2CC2)cc1
InChIInChI=1S/C20H20N2O3/c1-12-2-4-13(5-3-12)16(14-6-7-14)11-19(23)21-15-8-9-17-18(10-15)25-20(24)22-17/h2-5,8-10,14,16H,6-7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQRWFVJHJVRHFX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.95
Rot. Bonds5

About 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 110411113) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID110411113
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)C2CC2)cc1
InChIInChI=1S/C20H20N2O3/c1-12-2-4-13(5-3-12)16(14-6-7-14)11-19(23)21-15-8-9-17-18(10-15)25-20(24)22-17/h2-5,8-10,14,16H,6-7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQRWFVJHJVRHFX-UHFFFAOYSA-N
XLogP3.95
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098
3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303619
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
2-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608202
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 110411113) is 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is Cc1ccc(C(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is RQRWFVJHJVRHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-2-4-13(5-3-12)16(14-6-7-14)11-19(23)21-15-8-9-17-18(10-15)25-20(24)22-17/h2-5,8-10,14,16H,6-7,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 110411113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).