N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C15H13ClN4O3 — CID 84594034

IUPACN-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(Cl)cc2)c2noc(C)n2)on1
InChIInChI=1S/C15H13ClN4O3/c1-8-7-12(23-19-8)15(21)18-13(14-17-9(2)22-20-14)10-3-5-11(16)6-4-10/h3-7,13H,1-2H3,(H,18,21)
InChIKeyKJHKKCUWEVIAGS-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.85
Rot. Bonds4

About N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 84594034) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID84594034
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC NameN-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(Cl)cc2)c2noc(C)n2)on1
InChIInChI=1S/C15H13ClN4O3/c1-8-7-12(23-19-8)15(21)18-13(14-17-9(2)22-20-14)10-3-5-11(16)6-4-10/h3-7,13H,1-2H3,(H,18,21)
InChIKeyKJHKKCUWEVIAGS-UHFFFAOYSA-N
XLogP2.85
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 84594034) is N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(c2ccc(Cl)cc2)c2noc(C)n2)on1.
What is the InChIKey of N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KJHKKCUWEVIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-8-7-12(23-19-8)15(21)18-13(14-17-9(2)22-20-14)10-3-5-11(16)6-4-10/h3-7,13H,1-2H3,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 84594034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).