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

C16H11N5O3 — CID 709599

IUPACN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ncn[nH]1
InChIInChI=1S/C16H11N5O3/c22-12-7-9(19-15(23)14-17-8-18-21-14)5-6-10(12)16-20-11-3-1-2-4-13(11)24-16/h1-8,22H,(H,19,23)(H,17,18,21)
InChIKeyOZOAIZICPKSUNS-UHFFFAOYSA-N
MW321.30 g/mol
LogP2.57
Rot. Bonds3

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

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 709599) has the molecular formula C16H11N5O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID709599
Molecular FormulaC16H11N5O3
Molecular Weight321.30 g/mol
Exact Mass321.09
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ncn[nH]1
InChIInChI=1S/C16H11N5O3/c22-12-7-9(19-15(23)14-17-8-18-21-14)5-6-10(12)16-20-11-3-1-2-4-13(11)24-16/h1-8,22H,(H,19,23)(H,17,18,21)
InChIKeyOZOAIZICPKSUNS-UHFFFAOYSA-N
XLogP2.57
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
CID 171138075
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 135654760
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-phenoxyacetamide
CID 1207653
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-tert-butylbenzamide
CID 2263263
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 1345433
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,2,2-trichloroacetamide
CID 1363966

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide (CID 709599) is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ncn[nH]1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OZOAIZICPKSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3/c22-12-7-9(19-15(23)14-17-8-18-21-14)5-6-10(12)16-20-11-3-1-2-4-13(11)24-16/h1-8,22H,(H,19,23)(H,17,18,21).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).