N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide

C13H12N2O2 — CID 110647274

IUPACN-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnoc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13(15-10-6-7-10)11-8-14-17-12(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16)
InChIKeyGYAUMPGDKDJKLI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.23
Rot. Bonds3

About N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide

N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110647274) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110647274
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnoc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13(15-10-6-7-10)11-8-14-17-12(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16)
InChIKeyGYAUMPGDKDJKLI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 110647274) is N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide is O=C(NC1CC1)c1cnoc1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GYAUMPGDKDJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(15-10-6-7-10)11-8-14-17-12(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16).
What are the key properties of N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide?
N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110647274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).