N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide

C12H18N2O2 — CID 53195128

IUPACN-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCC2)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15)
InChIKeyBHCSUSDIXAVJEH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.35
Rot. Bonds2

About N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195128) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195128
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCC2)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15)
InChIKeyBHCSUSDIXAVJEH-UHFFFAOYSA-N
XLogP2.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 53195128) is N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC2CCCCC2)c(C)o1.
What is the InChIKey of N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is BHCSUSDIXAVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).