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

C14H23N3O4S — CID 47865915

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H23N3O4S/c1-10-12(11(2)21-16-10)9-15-13(18)14(17-22(3,19)20)7-5-4-6-8-14/h17H,4-9H2,1-3H3,(H,15,18)
InChIKeyJBDSVRXUFHAANB-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.16
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide (PubChem CID 47865915) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
PubChem CID47865915
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1(NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H23N3O4S/c1-10-12(11(2)21-16-10)9-15-13(18)14(17-22(3,19)20)7-5-4-6-8-14/h17H,4-9H2,1-3H3,(H,15,18)
InChIKeyJBDSVRXUFHAANB-UHFFFAOYSA-N
XLogP1.16
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide (CID 47865915) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide is Cc1noc(C)c1CNC(=O)C1(NS(C)(=O)=O)CCCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide?
The InChIKey is JBDSVRXUFHAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10-12(11(2)21-16-10)9-15-13(18)14(17-22(3,19)20)7-5-4-6-8-14/h17H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide is sourced from PubChem (CID 47865915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).