N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C14H14N2O2 — CID 903564

IUPACN-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CC1
InChIInChI=1S/C14H14N2O2/c1-9-12(14(17)15-11-7-8-11)13(16-18-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,17)
InChIKeyHCUIEGLRDNPODU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.54
Rot. Bonds3

About N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 903564) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID903564
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CC1
InChIInChI=1S/C14H14N2O2/c1-9-12(14(17)15-11-7-8-11)13(16-18-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,17)
InChIKeyHCUIEGLRDNPODU-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 903564) is N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HCUIEGLRDNPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-12(14(17)15-11-7-8-11)13(16-18-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).