(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide

C14H15ClN2O2 — CID 46226162

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1ncco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyAAOJAMJIDLDOCS-LBPRGKRZSA-N
MW278.74 g/mol
LogP3.71
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide (PubChem CID 46226162) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide
PubChem CID46226162
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1ncco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyAAOJAMJIDLDOCS-LBPRGKRZSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide (CID 46226162) is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide is CC(C)[C@H](C(=O)Nc1ncco1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide?
The InChIKey is AAOJAMJIDLDOCS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide has a molecular weight of 278.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 46226162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).