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

C14H11ClN4O3 — CID 110621435

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)no1
InChIInChI=1S/C14H11ClN4O3/c1-8-16-12(19-21-8)7-13(20)17-14-6-11(18-22-14)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,17,20)
InChIKeyFGZLXSXDTGZARI-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.87
Rot. Bonds4

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

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110621435) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110621435
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)no1
InChIInChI=1S/C14H11ClN4O3/c1-8-16-12(19-21-8)7-13(20)17-14-6-11(18-22-14)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,17,20)
InChIKeyFGZLXSXDTGZARI-UHFFFAOYSA-N
XLogP2.87
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 110302314
N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613289
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519887
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110621435) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1nc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)no2)no1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is FGZLXSXDTGZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c1-8-16-12(19-21-8)7-13(20)17-14-6-11(18-22-14)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 318.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110621435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).