4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile

C14H10N2O2 — CID 54205927

IUPAC4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2oncc2C(=O)C2CC2)cc1
InChIInChI=1S/C14H10N2O2/c15-7-9-1-3-11(4-2-9)14-12(8-16-18-14)13(17)10-5-6-10/h1-4,8,10H,5-6H2
InChIKeyPSLSGBMNYAOJRX-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.81
Rot. Bonds3

About 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile

4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile (PubChem CID 54205927) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
PubChem CID54205927
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2oncc2C(=O)C2CC2)cc1
InChIInChI=1S/C14H10N2O2/c15-7-9-1-3-11(4-2-9)14-12(8-16-18-14)13(17)10-5-6-10/h1-4,8,10H,5-6H2
InChIKeyPSLSGBMNYAOJRX-UHFFFAOYSA-N
XLogP2.81
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile (CID 54205927) is 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile is N#Cc1ccc(-c2oncc2C(=O)C2CC2)cc1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile?
The InChIKey is PSLSGBMNYAOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-7-9-1-3-11(4-2-9)14-12(8-16-18-14)13(17)10-5-6-10/h1-4,8,10H,5-6H2.
What are the key properties of 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile?
4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 54205927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).