5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C9H5Cl2N3O3 — CID 137099581

IUPAC5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1
InChIInChI=1S/C9H5Cl2N3O3/c10-4-1-3(2-5(11)6(4)15)8-13-14-9(17-8)7(12)16/h1-2,15H,(H2,12,16)
InChIKeyMVCAYEWGRWYTFJ-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.85
Rot. Bonds2

About 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide

5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 137099581) has the molecular formula C9H5Cl2N3O3 and a molecular weight of 274.06 g/mol. Its IUPAC name is 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID137099581
Molecular FormulaC9H5Cl2N3O3
Molecular Weight274.06 g/mol
Exact Mass272.97
IUPAC Name5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1
InChIInChI=1S/C9H5Cl2N3O3/c10-4-1-3(2-5(11)6(4)15)8-13-14-9(17-8)7(12)16/h1-2,15H,(H2,12,16)
InChIKeyMVCAYEWGRWYTFJ-UHFFFAOYSA-N
XLogP1.85
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271
potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 71758263
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
4-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126755771
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 50849580
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 137099581) is 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1.
What is the InChIKey of 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MVCAYEWGRWYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O3/c10-4-1-3(2-5(11)6(4)15)8-13-14-9(17-8)7(12)16/h1-2,15H,(H2,12,16).
What are the key properties of 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 274.06 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 137099581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).