3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile

C15H12N6O — CID 134710205

IUPAC3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCN(Cc1cc(-c2ccncc2)no1)c1nccnc1C#N
InChIInChI=1S/C15H12N6O/c1-21(15-14(9-16)18-6-7-19-15)10-12-8-13(20-22-12)11-2-4-17-5-3-11/h2-8H,10H2,1H3
InChIKeyKQEYQGZTSOHUFH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.03
Rot. Bonds4

About 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile

3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile (PubChem CID 134710205) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile
PubChem CID134710205
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCN(Cc1cc(-c2ccncc2)no1)c1nccnc1C#N
InChIInChI=1S/C15H12N6O/c1-21(15-14(9-16)18-6-7-19-15)10-12-8-13(20-22-12)11-2-4-17-5-3-11/h2-8H,10H2,1H3
InChIKeyKQEYQGZTSOHUFH-UHFFFAOYSA-N
XLogP2.03
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 50963811
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
N,1,3-trimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72888811
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
CID 97202176
3-[methyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685552
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
CID 131940037
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 72837401
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile (CID 134710205) is 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile is CN(Cc1cc(-c2ccncc2)no1)c1nccnc1C#N.
What is the InChIKey of 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile?
The InChIKey is KQEYQGZTSOHUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-21(15-14(9-16)18-6-7-19-15)10-12-8-13(20-22-12)11-2-4-17-5-3-11/h2-8H,10H2,1H3.
What are the key properties of 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile?
3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 134710205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).