(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

C13H21N3O4S — CID 95146386

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-9-11(10(2)20-15-9)8-14-13(17)12-6-4-5-7-16(12)21(3,18)19/h12H,4-8H2,1-3H3,(H,14,17)/t12-/m1/s1
InChIKeyOMAAIZHOVPKDFO-GFCCVEGCSA-N
MW315.40 g/mol
LogP0.72
Rot. Bonds4

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 95146386) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID95146386
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-9-11(10(2)20-15-9)8-14-13(17)12-6-4-5-7-16(12)21(3,18)19/h12H,4-8H2,1-3H3,(H,14,17)/t12-/m1/s1
InChIKeyOMAAIZHOVPKDFO-GFCCVEGCSA-N
XLogP0.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 79236689
1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 134039566
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 75519025
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 95146386) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is Cc1noc(C)c1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is OMAAIZHOVPKDFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-11(10(2)20-15-9)8-14-13(17)12-6-4-5-7-16(12)21(3,18)19/h12H,4-8H2,1-3H3,(H,14,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 95146386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).