N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C16H19N3O3 — CID 153449137

IUPACN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESC[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H19N3O3/c1-9-7-19(11-3-4-11)8-13(9)17-15(20)10-2-5-12-14(6-10)22-16(21)18-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,17,20)(H,18,21)/t9-,13-/m1/s1
InChIKeyGXNUKQOMGUEYSL-NOZJJQNGSA-N
MW301.35 g/mol
LogP1.33
Rot. Bonds3

About N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 153449137) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID153449137
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESC[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H19N3O3/c1-9-7-19(11-3-4-11)8-13(9)17-15(20)10-2-5-12-14(6-10)22-16(21)18-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,17,20)(H,18,21)/t9-,13-/m1/s1
InChIKeyGXNUKQOMGUEYSL-NOZJJQNGSA-N
XLogP1.33
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4S)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 153449121
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99629701
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
CID 167960316
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99622571
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 25259860
6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one
CID 61273175
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 153449137) is N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is GXNUKQOMGUEYSL-NOZJJQNGSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-7-19(11-3-4-11)8-13(9)17-15(20)10-2-5-12-14(6-10)22-16(21)18-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,17,20)(H,18,21)/t9-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 153449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).