4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide

C18H23N3O4S — CID 126788415

IUPAC4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1
InChIInChI=1S/C18H23N3O4S/c1-3-26(23,24)16-7-9-21(10-8-16)18(22)20-15-6-4-5-14(11-15)17-19-13(2)12-25-17/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,20,22)
InChIKeyRZWCESLUPNCMQQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.08
Rot. Bonds4

About 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide

4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 126788415) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID126788415
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1
InChIInChI=1S/C18H23N3O4S/c1-3-26(23,24)16-7-9-21(10-8-16)18(22)20-15-6-4-5-14(11-15)17-19-13(2)12-25-17/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,20,22)
InChIKeyRZWCESLUPNCMQQ-UHFFFAOYSA-N
XLogP3.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97327569
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 97327566
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
CID 99839363
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337943
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 111424867

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (CID 126788415) is 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is CCS(=O)(=O)C1CCN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1.
What is the InChIKey of 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is RZWCESLUPNCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-26(23,24)16-7-9-21(10-8-16)18(22)20-15-6-4-5-14(11-15)17-19-13(2)12-25-17/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,20,22).
What are the key properties of 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 126788415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).