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

C13H17N5O2 — CID 109272532

IUPACN-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2cc(C)on2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-4-5-14-13(19)10-7-16-12(8-15-10)17-11-6-9(2)20-18-11/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyHWAHKWROTSZRLR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.05
Rot. Bonds6

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

N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109272532) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109272532
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2cc(C)on2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-4-5-14-13(19)10-7-16-12(8-15-10)17-11-6-9(2)20-18-11/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17,18)
InChIKeyHWAHKWROTSZRLR-UHFFFAOYSA-N
XLogP2.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109293157
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
CID 109272506
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (CID 109272532) is N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(Nc2cc(C)on2)cn1.
What is the InChIKey of N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is HWAHKWROTSZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-4-5-14-13(19)10-7-16-12(8-15-10)17-11-6-9(2)20-18-11/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17,18).
What are the key properties of N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109272532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).