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

C16H20N2O3 — CID 6622612

IUPACN-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H20N2O3/c1-20-14-9-5-4-8-12(14)13-10-15(21-18-13)16(19)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,17,19)
InChIKeyXXYSUYNPDVPJIZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.25
Rot. Bonds4

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

N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 6622612) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID6622612
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H20N2O3/c1-20-14-9-5-4-8-12(14)13-10-15(21-18-13)16(19)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,17,19)
InChIKeyXXYSUYNPDVPJIZ-UHFFFAOYSA-N
XLogP2.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 6622612) is N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XXYSUYNPDVPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-14-9-5-4-8-12(14)13-10-15(21-18-13)16(19)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6622612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).