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

C15H15ClN2O4 — CID 3238190

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O4/c1-20-12-7-10(13(21-2)6-9(12)16)17-15(19)14-8-4-3-5-11(8)22-18-14/h6-7H,3-5H2,1-2H3,(H,17,19)
InChIKeyWCJZAHCKVCPTMF-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.09
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 3238190) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID3238190
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O4/c1-20-12-7-10(13(21-2)6-9(12)16)17-15(19)14-8-4-3-5-11(8)22-18-14/h6-7H,3-5H2,1-2H3,(H,17,19)
InChIKeyWCJZAHCKVCPTMF-UHFFFAOYSA-N
XLogP3.09
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 3238190) is N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is WCJZAHCKVCPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-20-12-7-10(13(21-2)6-9(12)16)17-15(19)14-8-4-3-5-11(8)22-18-14/h6-7H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 3238190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).