N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide

C14H15ClN2O2 — CID 1484363

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)14(18)16-8-12-7-13(17-19-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyXTYRPXWDAIHDDQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.27
Rot. Bonds4

About N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide (PubChem CID 1484363) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
PubChem CID1484363
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)14(18)16-8-12-7-13(17-19-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyXTYRPXWDAIHDDQ-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide (CID 1484363) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The InChIKey is XTYRPXWDAIHDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(2)14(18)16-8-12-7-13(17-19-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide has a molecular weight of 278.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 1484363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).