3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide

C13H12N6O3 — CID 121351203

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccno2)c(N)nc1-c1ncco1
InChIInChI=1S/C13H12N6O3/c1-7-9(13-15-4-5-21-13)19-11(14)10(18-7)12(20)16-6-8-2-3-17-22-8/h2-5H,6H2,1H3,(H2,14,19)(H,16,20)
InChIKeyLDZZWQVLSZILSQ-UHFFFAOYSA-N
MW300.28 g/mol
LogP0.94
Rot. Bonds4

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide (PubChem CID 121351203) has the molecular formula C13H12N6O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide
PubChem CID121351203
Molecular FormulaC13H12N6O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccno2)c(N)nc1-c1ncco1
InChIInChI=1S/C13H12N6O3/c1-7-9(13-15-4-5-21-13)19-11(14)10(18-7)12(20)16-6-8-2-3-17-22-8/h2-5H,6H2,1H3,(H2,14,19)(H,16,20)
InChIKeyLDZZWQVLSZILSQ-UHFFFAOYSA-N
XLogP0.94
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351318
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
3-amino-6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351267
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 121351247
3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145086016
3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145085896
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
3-amino-N-methoxy-N,6-dimethyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121350983
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351
3-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351038

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide (CID 121351203) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2ccno2)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is LDZZWQVLSZILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3/c1-7-9(13-15-4-5-21-13)19-11(14)10(18-7)12(20)16-6-8-2-3-17-22-8/h2-5H,6H2,1H3,(H2,14,19)(H,16,20).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).