N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 5307380

IUPACN-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2)no1
InChIInChI=1S/C14H16N2O2/c1-3-4-12-9-13(16-18-12)14(17)15-11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyHFTNLHDTUUSJKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.19
Rot. Bonds4

About N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307380) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307380
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2)no1
InChIInChI=1S/C14H16N2O2/c1-3-4-12-9-13(16-18-12)14(17)15-11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyHFTNLHDTUUSJKK-UHFFFAOYSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307380) is N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(C)cc2)no1.
What is the InChIKey of N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is HFTNLHDTUUSJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-4-12-9-13(16-18-12)14(17)15-11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).