N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide

C16H10ClN5O2 — CID 709591

IUPACN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ncn[nH]1
InChIInChI=1S/C16H10ClN5O2/c17-11-4-2-1-3-10(11)16-21-12-7-9(5-6-13(12)24-16)20-15(23)14-18-8-19-22-14/h1-8H,(H,20,23)(H,18,19,22)
InChIKeyOOKKURZGDGCSCX-UHFFFAOYSA-N
MW339.74 g/mol
LogP3.52
Rot. Bonds3

About N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 709591) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID709591
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ncn[nH]1
InChIInChI=1S/C16H10ClN5O2/c17-11-4-2-1-3-10(11)16-21-12-7-9(5-6-13(12)24-16)20-15(23)14-18-8-19-22-14/h1-8H,(H,20,23)(H,18,19,22)
InChIKeyOOKKURZGDGCSCX-UHFFFAOYSA-N
XLogP3.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 709599
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide (CID 709591) is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ncn[nH]1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OOKKURZGDGCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-11-4-2-1-3-10(11)16-21-12-7-9(5-6-13(12)24-16)20-15(23)14-18-8-19-22-14/h1-8H,(H,20,23)(H,18,19,22).
What are the key properties of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 339.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 709591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).