4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol

C15H13N3O3 — CID 137250320

IUPAC4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1Nc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H13N3O3/c1-20-13-5-3-2-4-12(13)16-15-18-17-14(21-15)10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,18)
InChIKeyMOUVKOPTADWAEL-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.19
Rot. Bonds4

About 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol

4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 137250320) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID137250320
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1Nc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H13N3O3/c1-20-13-5-3-2-4-12(13)16-15-18-17-14(21-15)10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,18)
InChIKeyMOUVKOPTADWAEL-UHFFFAOYSA-N
XLogP3.19
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611400
N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 4799057
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098163

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol (CID 137250320) is 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol is COc1ccccc1Nc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is MOUVKOPTADWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-13-5-3-2-4-12(13)16-15-18-17-14(21-15)10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,18).
What are the key properties of 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 283.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 137250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).