N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide

C15H19N3O4S — CID 110729021

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2o1
InChIInChI=1S/C15H19N3O4S/c1-10-16-13-4-3-12(9-14(13)22-10)17-15(19)11-5-7-18(8-6-11)23(2,20)21/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyFNWGHMHCGKCJMW-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.75
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110729021) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110729021
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2o1
InChIInChI=1S/C15H19N3O4S/c1-10-16-13-4-3-12(9-14(13)22-10)17-15(19)11-5-7-18(8-6-11)23(2,20)21/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyFNWGHMHCGKCJMW-UHFFFAOYSA-N
XLogP1.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide
CID 154705957
1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide
CID 55571925
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
CID 86923799
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 110729021) is N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1nc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is FNWGHMHCGKCJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-16-13-4-3-12(9-14(13)22-10)17-15(19)11-5-7-18(8-6-11)23(2,20)21/h3-4,9,11H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110729021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).