(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide

C14H15ClN2O3 — CID 27233481

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccon1
InChIInChI=1S/C14H15ClN2O3/c1-3-12(14(18)16-13-6-7-19-17-13)20-10-4-5-11(15)9(2)8-10/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyIZHOTZXQBNYUEI-LBPRGKRZSA-N
MW294.74 g/mol
LogP3.43
Rot. Bonds5

About (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide (PubChem CID 27233481) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
PubChem CID27233481
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccon1
InChIInChI=1S/C14H15ClN2O3/c1-3-12(14(18)16-13-6-7-19-17-13)20-10-4-5-11(15)9(2)8-10/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyIZHOTZXQBNYUEI-LBPRGKRZSA-N
XLogP3.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233380
2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 17249225
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide (CID 27233481) is (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide is CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccon1.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The InChIKey is IZHOTZXQBNYUEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-12(14(18)16-13-6-7-19-17-13)20-10-4-5-11(15)9(2)8-10/h4-8,12H,3H2,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide has a molecular weight of 294.74 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 27233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).