N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide

C13H12N2O2 — CID 2806321

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)C1CC1
InChIInChI=1S/C13H12N2O2/c16-13(10-1-2-10)15-11-5-3-9(4-6-11)12-7-14-8-17-12/h3-8,10H,1-2H2,(H,15,16)
InChIKeyPEBNNWSFGOLCJY-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.69
Rot. Bonds3

About N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide

N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide (PubChem CID 2806321) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
PubChem CID2806321
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)C1CC1
InChIInChI=1S/C13H12N2O2/c16-13(10-1-2-10)15-11-5-3-9(4-6-11)12-7-14-8-17-12/h3-8,10H,1-2H2,(H,15,16)
InChIKeyPEBNNWSFGOLCJY-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide (CID 2806321) is N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2cnco2)cc1)C1CC1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is PEBNNWSFGOLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(10-1-2-10)15-11-5-3-9(4-6-11)12-7-14-8-17-12/h3-8,10H,1-2H2,(H,15,16).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 2806321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).