N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C17H20N2O2 — CID 1093785

IUPACN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20)
InChIKeyVOJTYLRKIQUAGT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.71
Rot. Bonds3

About N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093785) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093785
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20)
InChIKeyVOJTYLRKIQUAGT-UHFFFAOYSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093785) is N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VOJTYLRKIQUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).