(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

C14H15ClN2O3 — CID 78931347

IUPAC(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H15ClN2O3/c1-8(18)11-6-10(15)4-5-12(11)19-7-13-16-14(17-20-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyGEVWBJDIYXQTMS-QMMMGPOBSA-N
MW294.74 g/mol
LogP3.23
Rot. Bonds5

About (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 78931347) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
PubChem CID78931347
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H15ClN2O3/c1-8(18)11-6-10(15)4-5-12(11)19-7-13-16-14(17-20-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyGEVWBJDIYXQTMS-QMMMGPOBSA-N
XLogP3.23
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55188812
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63064418
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82911885

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (CID 78931347) is (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1nc(C2CC2)no1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is GEVWBJDIYXQTMS-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8(18)11-6-10(15)4-5-12(11)19-7-13-16-14(17-20-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 294.74 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).