N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide

C12H18N2O2 — CID 23384209

IUPACN-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC1(CCNC(=O)c2ccno2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-12(5-2-3-6-12)7-9-13-11(15)10-4-8-14-16-10/h4,8H,2-3,5-7,9H2,1H3,(H,13,15)
InChIKeyLPJFTGOHRNMGOT-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 23384209) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID23384209
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC1(CCNC(=O)c2ccno2)CCCC1
InChIInChI=1S/C12H18N2O2/c1-12(5-2-3-6-12)7-9-13-11(15)10-4-8-14-16-10/h4,8H,2-3,5-7,9H2,1H3,(H,13,15)
InChIKeyLPJFTGOHRNMGOT-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide (CID 23384209) is N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide is CC1(CCNC(=O)c2ccno2)CCCC1.
What is the InChIKey of N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LPJFTGOHRNMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(5-2-3-6-12)7-9-13-11(15)10-4-8-14-16-10/h4,8H,2-3,5-7,9H2,1H3,(H,13,15).
What are the key properties of N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).