N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

C15H16N2O2 — CID 5075959

IUPACN-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2noc3c2CCC3)cc1
InChIInChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyGKFRHMZABSZTGD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.98
Rot. Bonds3

About N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 5075959) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID5075959
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2noc3c2CCC3)cc1
InChIInChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyGKFRHMZABSZTGD-UHFFFAOYSA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
N-(4-acetylphenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864723
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 5075959) is N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is CCc1ccc(NC(=O)c2noc3c2CCC3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is GKFRHMZABSZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 5075959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).