N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C20H15N3O2 — CID 90503198

IUPACN-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H15N3O2/c21-13-15-8-4-5-9-16(15)22-19(24)20(10-11-20)18-12-17(25-23-18)14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H,22,24)
InChIKeySFWHGIHDTSEORK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.88
Rot. Bonds4

About N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503198) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90503198
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H15N3O2/c21-13-15-8-4-5-9-16(15)22-19(24)20(10-11-20)18-12-17(25-23-18)14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H,22,24)
InChIKeySFWHGIHDTSEORK-UHFFFAOYSA-N
XLogP3.88
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503198) is N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is N#Cc1ccccc1NC(=O)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is SFWHGIHDTSEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-13-15-8-4-5-9-16(15)22-19(24)20(10-11-20)18-12-17(25-23-18)14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).