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

C19H21N5O2 — CID 47055422

IUPAC2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1
InChIInChI=1S/C19H21N5O2/c1-12-3-6-15(13(2)21-12)18(25)23-7-9-24(10-8-23)19-16(11-20)22-17(26-19)14-4-5-14/h3,6,14H,4-5,7-10H2,1-2H3
InChIKeyVGCDZHBYJRURQH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.40
Rot. Bonds3

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

2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 47055422) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID47055422
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1
InChIInChI=1S/C19H21N5O2/c1-12-3-6-15(13(2)21-12)18(25)23-7-9-24(10-8-23)19-16(11-20)22-17(26-19)14-4-5-14/h3,6,14H,4-5,7-10H2,1-2H3
InChIKeyVGCDZHBYJRURQH-UHFFFAOYSA-N
XLogP2.40
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 47055422) is 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1.
What is the InChIKey of 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is VGCDZHBYJRURQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-3-6-15(13(2)21-12)18(25)23-7-9-24(10-8-23)19-16(11-20)22-17(26-19)14-4-5-14/h3,6,14H,4-5,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 2.40, 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-(2,6-dimethylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 47055422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).