N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C15H18N2O2S — CID 110219071

IUPACN-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C15H18N2O2S/c1-10-5-2-3-6-11(10)17-15(18)13-14(19-9-16-13)12-7-4-8-20-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyKNKTVEORODSLJB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.71
Rot. Bonds3

About N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 110219071) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID110219071
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C15H18N2O2S/c1-10-5-2-3-6-11(10)17-15(18)13-14(19-9-16-13)12-7-4-8-20-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyKNKTVEORODSLJB-UHFFFAOYSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 110219071) is N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC1CCCCC1NC(=O)c1ncoc1-c1cccs1.
What is the InChIKey of N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KNKTVEORODSLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-5-2-3-6-11(10)17-15(18)13-14(19-9-16-13)12-7-4-8-20-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110219071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).