1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid

C19H20N4O4 — CID 136515806

IUPAC1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1noc(C)c1CCNC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1
InChIInChI=1S/C19H20N4O4/c1-11-16(13(3)27-22-11)8-9-20-18(24)14-4-6-15(7-5-14)23-12(2)17(10-21-23)19(25)26/h4-7,10H,8-9H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyIMSOWECDUNNEJH-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid

1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 136515806) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
PubChem CID136515806
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1noc(C)c1CCNC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1
InChIInChI=1S/C19H20N4O4/c1-11-16(13(3)27-22-11)8-9-20-18(24)14-4-6-15(7-5-14)23-12(2)17(10-21-23)19(25)26/h4-7,10H,8-9H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyIMSOWECDUNNEJH-UHFFFAOYSA-N
XLogP2.46
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-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

5-methyl-1-[4-[(4-methyloxan-4-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167884174
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53003687
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47865061
1-[4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 75445979
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55718988
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid (CID 136515806) is 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid is Cc1noc(C)c1CCNC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1.
What is the InChIKey of 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is IMSOWECDUNNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-16(13(3)27-22-11)8-9-20-18(24)14-4-6-15(7-5-14)23-12(2)17(10-21-23)19(25)26/h4-7,10H,8-9H2,1-3H3,(H,20,24)(H,25,26).
What are the key properties of 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid?
1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 136515806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).