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

C15H12N2O3 — CID 137228616

IUPAC4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1-c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyPSPNFYYRHSBMDU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds3

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

4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 137228616) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID137228616
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1-c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyPSPNFYYRHSBMDU-UHFFFAOYSA-N
XLogP3.12
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one
CID 168858157
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
CID 137361929
N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
CID 126842721
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098163
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3620914

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 137228616) is 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is COc1ccccc1-c1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is PSPNFYYRHSBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 137228616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).