N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

C11H15ClN2O2 — CID 63391687

IUPACN-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1ccon1)N(CCCl)C1CCCC1
InChIInChI=1S/C11H15ClN2O2/c12-6-7-14(9-3-1-2-4-9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2
InChIKeyDKYVQOWTRGVHRG-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (PubChem CID 63391687) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
PubChem CID63391687
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1ccon1)N(CCCl)C1CCCC1
InChIInChI=1S/C11H15ClN2O2/c12-6-7-14(9-3-1-2-4-9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2
InChIKeyDKYVQOWTRGVHRG-UHFFFAOYSA-N
XLogP2.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 63393650
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
CID 63391893
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (CID 63391687) is N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is O=C(c1ccon1)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The InChIKey is DKYVQOWTRGVHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-6-7-14(9-3-1-2-4-9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63391687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).