N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide

C13H20N2O2 — CID 94038132

IUPACN,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)on1
InChIInChI=1S/C13H20N2O2/c1-9-6-4-5-7-11(9)15(3)13(16)12-8-10(2)14-17-12/h8-9,11H,4-7H2,1-3H3/t9-,11+/m1/s1
InChIKeyYSMXNWHZMCBZDH-KOLCDFICSA-N
MW236.31 g/mol
LogP2.63
Rot. Bonds2

About N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide

N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 94038132) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID94038132
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)on1
InChIInChI=1S/C13H20N2O2/c1-9-6-4-5-7-11(9)15(3)13(16)12-8-10(2)14-17-12/h8-9,11H,4-7H2,1-3H3/t9-,11+/m1/s1
InChIKeyYSMXNWHZMCBZDH-KOLCDFICSA-N
XLogP2.63
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide (CID 94038132) is N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)on1.
What is the InChIKey of N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YSMXNWHZMCBZDH-KOLCDFICSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-4-5-7-11(9)15(3)13(16)12-8-10(2)14-17-12/h8-9,11H,4-7H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide?
N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94038132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).