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

C15H16N2O2 — CID 3353691

IUPACN-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CCC3)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyPSXXAJCPMIFXQG-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.03
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 3353691) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID3353691
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CCC3)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyPSXXAJCPMIFXQG-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
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
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-[2-(methylthio)phenyl]-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3238925
N-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 3361256
N-(3-Chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 5075788
N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 5075959
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
CID 5308779
N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3236688
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-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 3353691) is N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc3c2CCC3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is PSXXAJCPMIFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-8H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 3353691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).