3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid

C13H16N4O4 — CID 106374332

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1cnc(CNC(=O)Nc2cc(C)[nH]c2C(=O)O)o1
InChIInChI=1S/C13H16N4O4/c1-3-8-5-14-10(21-8)6-15-13(20)17-9-4-7(2)16-11(9)12(18)19/h4-5,16H,3,6H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyBSDFAOHWMRPEFL-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.89
Rot. Bonds5

About 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid

3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 106374332) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID106374332
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1cnc(CNC(=O)Nc2cc(C)[nH]c2C(=O)O)o1
InChIInChI=1S/C13H16N4O4/c1-3-8-5-14-10(21-8)6-15-13(20)17-9-4-7(2)16-11(9)12(18)19/h4-5,16H,3,6H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyBSDFAOHWMRPEFL-UHFFFAOYSA-N
XLogP1.89
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid 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

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106373959
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 126820453
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
3-(2-acetamidoethylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483171
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
5-methyl-3-(2-methylsulfinylethylcarbamoylamino)-1H-pyrrole-2-carboxylic acid
CID 113483228
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 106374332) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid is CCc1cnc(CNC(=O)Nc2cc(C)[nH]c2C(=O)O)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is BSDFAOHWMRPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-8-5-14-10(21-8)6-15-13(20)17-9-4-7(2)16-11(9)12(18)19/h4-5,16H,3,6H2,1-2H3,(H,18,19)(H2,15,17,20).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 106374332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).