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

C16H18N2O2 — CID 1093781

IUPACN-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-6-8-12(9-7-11)15-10-14(18-20-15)16(19)17-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,17,19)
InChIKeyZTIKTYPYIBHYCX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.32
Rot. Bonds3

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

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093781) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093781
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-6-8-12(9-7-11)15-10-14(18-20-15)16(19)17-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,17,19)
InChIKeyZTIKTYPYIBHYCX-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093781) is N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1.
What is the InChIKey of N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZTIKTYPYIBHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-8-12(9-7-11)15-10-14(18-20-15)16(19)17-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).