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

C17H17N5O3 — CID 51078540

IUPAC2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H17N5O3/c18-9-13-17(25-15(20-13)11-1-2-11)22-7-5-21(6-8-22)16(24)12-3-4-14(23)19-10-12/h3-4,10-11H,1-2,5-8H2,(H,19,23)
InChIKeyOWMZFDXIXCWXBX-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.07
Rot. Bonds3

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

2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 51078540) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID51078540
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H17N5O3/c18-9-13-17(25-15(20-13)11-1-2-11)22-7-5-21(6-8-22)16(24)12-3-4-14(23)19-10-12/h3-4,10-11H,1-2,5-8H2,(H,19,23)
InChIKeyOWMZFDXIXCWXBX-UHFFFAOYSA-N
XLogP1.07
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 51078540) is 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OWMZFDXIXCWXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-9-13-17(25-15(20-13)11-1-2-11)22-7-5-21(6-8-22)16(24)12-3-4-14(23)19-10-12/h3-4,10-11H,1-2,5-8H2,(H,19,23).
What are the key properties of 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51078540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).