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

C13H11ClN2O2 — CID 5075788

IUPACN-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1noc2c1CCC2
InChIInChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)
InChIKeyYEYBSOOLSUEJAG-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.07
Rot. Bonds2

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

N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 5075788) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID5075788
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1noc2c1CCC2
InChIInChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)
InChIKeyYEYBSOOLSUEJAG-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051
N-[2-(methylthio)phenyl]-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3238925
N-(3-chlorophenyl)-5-isopropylisoxazole-3-carboxamide
CID 3240071
N-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 3361256
N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 5075959
N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide
CID 167437415
N-(3-chlorophenyl)-1,2-benzoxazole-3-carboxamide
CID 167437417
N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3236796

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 5075788) is N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1noc2c1CCC2.
What is the InChIKey of N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is YEYBSOOLSUEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 5075788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).