2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide

C16H20N4O3 — CID 131938011

IUPAC2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)c2coc(CN)n2)c1
InChIInChI=1S/C16H20N4O3/c1-3-6-18-15(21)11-5-4-10(2)12(7-11)20-16(22)13-9-23-14(8-17)19-13/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeySZRQIANSXSAZSQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.83
Rot. Bonds6

About 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide

2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 131938011) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID131938011
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ccc(C)c(NC(=O)c2coc(CN)n2)c1
InChIInChI=1S/C16H20N4O3/c1-3-6-18-15(21)11-5-4-10(2)12(7-11)20-16(22)13-9-23-14(8-17)19-13/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeySZRQIANSXSAZSQ-UHFFFAOYSA-N
XLogP1.83
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-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

3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 131896292
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
N-[2-methyl-5-(propylcarbamoyl)phenyl]spiro[2.2]pentane-2-carboxamide
CID 131926616
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 130372949
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
4-methyl-3-(2-methylpropanoylcarbamothioylamino)-N-propylbenzamide
CID 163639215
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide (CID 131938011) is 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide is CCCNC(=O)c1ccc(C)c(NC(=O)c2coc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SZRQIANSXSAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-6-18-15(21)11-5-4-10(2)12(7-11)20-16(22)13-9-23-14(8-17)19-13/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131938011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).