2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C18H19N5O2 — CID 51078545

IUPAC2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1
InChIInChI=1S/C18H19N5O2/c1-12-2-3-14(11-20-12)17(24)22-6-8-23(9-7-22)18-15(10-19)21-16(25-18)13-4-5-13/h2-3,11,13H,4-9H2,1H3
InChIKeyMRTOSPQDFDKXJP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds3

About 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 51078545) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID51078545
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1
InChIInChI=1S/C18H19N5O2/c1-12-2-3-14(11-20-12)17(24)22-6-8-23(9-7-22)18-15(10-19)21-16(25-18)13-4-5-13/h2-3,11,13H,4-9H2,1H3
InChIKeyMRTOSPQDFDKXJP-UHFFFAOYSA-N
XLogP2.09
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-[[4-(2-Cyanophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 134515605
2-Cyclopropyl-5-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055415
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
3-[(S)-1-[6-(trifluoromethyl)-nicotinoyl]-3-piperidyloxy]-2-pyrazinecarbonitrile
CID 100651472
2-Phenyl-5-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile
CID 34925173
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
3-[(S)-1-[(2-pyridyl)carbonyl]-3-pyrrolidinyloxy]-2-pyrazinecarbonitrile
CID 100755005
2-(Pyridin-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3-oxazole-4-carbonitrile
CID 46300257
2-Cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055422
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-6-propan-2-ylpyridine-3-carboxamide
CID 136545101
US12421210, Example 105
CID 153559897
5-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)-1,3-oxazole-4-carbonitrile
CID 46300245

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 51078545) is 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1.
What is the InChIKey of 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is MRTOSPQDFDKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-2-3-14(11-20-12)17(24)22-6-8-23(9-7-22)18-15(10-19)21-16(25-18)13-4-5-13/h2-3,11,13H,4-9H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51078545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).