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

C13H9ClN4O3 — CID 16879880

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)on1
InChIInChI=1S/C13H9ClN4O3/c1-7-6-10(21-18-7)11(19)15-13-17-16-12(20-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,17,19)
InChIKeyDLNFQTDVRXGIJL-UHFFFAOYSA-N
MW304.69 g/mol
LogP2.94
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16879880) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID16879880
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)on1
InChIInChI=1S/C13H9ClN4O3/c1-7-6-10(21-18-7)11(19)15-13-17-16-12(20-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,17,19)
InChIKeyDLNFQTDVRXGIJL-UHFFFAOYSA-N
XLogP2.94
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839507
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 16879880) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)on1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DLNFQTDVRXGIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c1-7-6-10(21-18-7)11(19)15-13-17-16-12(20-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,17,19).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 304.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16879880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).