5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide

C10H11N5O3 — CID 56822305

IUPAC5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2cn[nH]c2)no1
InChIInChI=1S/C10H11N5O3/c1-6-2-8(15-18-6)10(17)11-5-9(16)14-7-3-12-13-4-7/h2-4H,5H2,1H3,(H,11,17)(H,12,13)(H,14,16)
InChIKeyMSQYVBHDSGWPQM-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.07
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56822305) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID56822305
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2cn[nH]c2)no1
InChIInChI=1S/C10H11N5O3/c1-6-2-8(15-18-6)10(17)11-5-9(16)14-7-3-12-13-4-7/h2-4H,5H2,1H3,(H,11,17)(H,12,13)(H,14,16)
InChIKeyMSQYVBHDSGWPQM-UHFFFAOYSA-N
XLogP0.07
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide
CID 71859391
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
3-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 43429619
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
1H-pyrazol-4-ylcarbamic acid
CID 66846919
5-methyl-N-[4-[10-[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-oxobutyl]sulfanyldecylsulfanyl]-2-oxobutyl]-1,2-oxazole-3-carboxamide
CID 70402340

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 56822305) is 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2cn[nH]c2)no1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MSQYVBHDSGWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-2-8(15-18-6)10(17)11-5-9(16)14-7-3-12-13-4-7/h2-4H,5H2,1H3,(H,11,17)(H,12,13)(H,14,16).
What are the key properties of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56822305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).