1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol

C11H12N2O2 — CID 66596920

IUPAC1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESCc1cccc(-c2nnc(C(C)O)o2)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-9(6-7)11-13-12-10(15-11)8(2)14/h3-6,8,14H,1-2H3
InChIKeyTXXIMIDDLITXCH-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.10
Rot. Bonds2

About 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol

1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol (PubChem CID 66596920) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
PubChem CID66596920
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
SMILESCc1cccc(-c2nnc(C(C)O)o2)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-9(6-7)11-13-12-10(15-11)8(2)14/h3-6,8,14H,1-2H3
InChIKeyTXXIMIDDLITXCH-UHFFFAOYSA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748
1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
CID 115087082
[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640784
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7997692
2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol?
The IUPAC name of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol (CID 66596920) is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol is Cc1cccc(-c2nnc(C(C)O)o2)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol?
The InChIKey is TXXIMIDDLITXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-3-5-9(6-7)11-13-12-10(15-11)8(2)14/h3-6,8,14H,1-2H3.
What are the key properties of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol?
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol has a molecular weight of 204.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol is sourced from PubChem (CID 66596920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).