4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid

C16H13N3O4 — CID 110456418

IUPAC4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2nnc(-c3cccc(O)c3)o2)cc1
InChIInChI=1S/C16H13N3O4/c20-13-3-1-2-12(8-13)14-18-19-16(23-14)17-9-10-4-6-11(7-5-10)15(21)22/h1-8,20H,9H2,(H,17,19)(H,21,22)
InChIKeyFRDIHTPBIKNOMW-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.75
Rot. Bonds5

About 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid

4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid (PubChem CID 110456418) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
PubChem CID110456418
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2nnc(-c3cccc(O)c3)o2)cc1
InChIInChI=1S/C16H13N3O4/c20-13-3-1-2-12(8-13)14-18-19-16(23-14)17-9-10-4-6-11(7-5-10)15(21)22/h1-8,20H,9H2,(H,17,19)(H,21,22)
InChIKeyFRDIHTPBIKNOMW-UHFFFAOYSA-N
XLogP2.75
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521221
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 11537045
4-[[5-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzoic acid
CID 143217457
3-[5-[(1,1-dioxothiolan-3-yl)amino]-1,3,4-oxadiazol-2-yl]phenol
CID 110456257
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
4-[[(3-cyano-5-phenyl-2-pyridinyl)amino]methyl]benzoic acid
CID 7749382
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid (CID 110456418) is 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNc2nnc(-c3cccc(O)c3)o2)cc1.
What is the InChIKey of 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid?
The InChIKey is FRDIHTPBIKNOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-13-3-1-2-12(8-13)14-18-19-16(23-14)17-9-10-4-6-11(7-5-10)15(21)22/h1-8,20H,9H2,(H,17,19)(H,21,22).
What are the key properties of 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid?
4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid has a molecular weight of 311.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid is sourced from PubChem (CID 110456418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).