N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

C16H14ClN5O2 — CID 109293157

IUPACN-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-9-3-4-11(6-12(9)17)20-16(23)13-7-19-15(8-18-13)21-14-5-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeySWXPXPFUNCYAKJ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.73
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109293157) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109293157
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-9-3-4-11(6-12(9)17)20-16(23)13-7-19-15(8-18-13)21-14-5-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeySWXPXPFUNCYAKJ-UHFFFAOYSA-N
XLogP3.73
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
N-(3,4-dichlorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164919
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
N-(3-chloro-4-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199598
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (CID 109293157) is N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2cnc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)no1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is SWXPXPFUNCYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-9-3-4-11(6-12(9)17)20-16(23)13-7-19-15(8-18-13)21-14-5-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109293157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).