(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide

C15H19ClN2O2 — CID 97465601

IUPAC(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H19ClN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-8-6-7-9-12(11)16/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1
InChIKeyHEOYEZLZVSUGQO-HNNXBMFYSA-N
MW294.78 g/mol
LogP3.09
Rot. Bonds4

About (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide

(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465601) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465601
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H19ClN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-8-6-7-9-12(11)16/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1
InChIKeyHEOYEZLZVSUGQO-HNNXBMFYSA-N
XLogP3.09
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465601) is (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is HEOYEZLZVSUGQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-8-6-7-9-12(11)16/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).