N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H22N2O2S — CID 70743438

IUPACN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)C2CCCC2)s1
InChIInChI=1S/C21H22N2O2S/c1-15-11-12-18(26-15)14-23(17-9-5-6-10-17)21(24)19-13-20(25-22-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3
InChIKeyLGWPQFCSZWVRBX-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.30
Rot. Bonds5

About N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 70743438) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID70743438
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)C2CCCC2)s1
InChIInChI=1S/C21H22N2O2S/c1-15-11-12-18(26-15)14-23(17-9-5-6-10-17)21(24)19-13-20(25-22-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3
InChIKeyLGWPQFCSZWVRBX-UHFFFAOYSA-N
XLogP5.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 70743438) is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LGWPQFCSZWVRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-11-12-18(26-15)14-23(17-9-5-6-10-17)21(24)19-13-20(25-22-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70743438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).