N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide

C13H14N2O3 — CID 3145094

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccccc2)no1
InChIInChI=1S/C13H14N2O3/c1-9-8-12(15-18-9)14-13(16)10(2)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyOXVLRBMWVANPKJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.39
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide (PubChem CID 3145094) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide
PubChem CID3145094
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccccc2)no1
InChIInChI=1S/C13H14N2O3/c1-9-8-12(15-18-9)14-13(16)10(2)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyOXVLRBMWVANPKJ-UHFFFAOYSA-N
XLogP2.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide (CID 3145094) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide is Cc1cc(NC(=O)C(C)Oc2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide?
The InChIKey is OXVLRBMWVANPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-8-12(15-18-9)14-13(16)10(2)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide has a molecular weight of 246.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenoxypropanamide is sourced from PubChem (CID 3145094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).