1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C14H16N2O2 — CID 103096443

IUPAC1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-2-12(17)13-15-14(18-16-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12,17H,2,8H2,1H3
InChIKeyOXRLDDMUYWLGRN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds4

About 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096443) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096443
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-2-12(17)13-15-14(18-16-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12,17H,2,8H2,1H3
InChIKeyOXRLDDMUYWLGRN-UHFFFAOYSA-N
XLogP2.78
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096202
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
1-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096109
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
CID 129358248
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
CID 97072785
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096443) is 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(C2CC2c2ccccc2)n1.
What is the InChIKey of 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is OXRLDDMUYWLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-12(17)13-15-14(18-16-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12,17H,2,8H2,1H3.
What are the key properties of 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 244.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).