N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide

C9H7ClN4O2 — CID 102989712

IUPACN-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C9H7ClN4O2/c1-5-4-13-16-6(5)9(15)14-8-7(10)11-2-3-12-8/h2-4H,1H3,(H,12,14,15)
InChIKeySSHSFNUDWNUXNN-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.68
Rot. Bonds2

About N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide

N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 102989712) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID102989712
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC NameN-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1nccnc1Cl
InChIInChI=1S/C9H7ClN4O2/c1-5-4-13-16-6(5)9(15)14-8-7(10)11-2-3-12-8/h2-4H,1H3,(H,12,14,15)
InChIKeySSHSFNUDWNUXNN-UHFFFAOYSA-N
XLogP1.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide (CID 102989712) is N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is SSHSFNUDWNUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-5-4-13-16-6(5)9(15)14-8-7(10)11-2-3-12-8/h2-4H,1H3,(H,12,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 102989712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).