[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

C15H18N2O3 — CID 116733877

IUPAC[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCCOC(c1noc(C(O)c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-19-13(11-8-9-11)14-16-15(20-17-14)12(18)10-6-4-3-5-7-10/h3-7,11-13,18H,2,8-9H2,1H3
InChIKeyCTKNYIVCQMNFAW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds6

About [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 116733877) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID116733877
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCCOC(c1noc(C(O)c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-19-13(11-8-9-11)14-16-15(20-17-14)12(18)10-6-4-3-5-7-10/h3-7,11-13,18H,2,8-9H2,1H3
InChIKeyCTKNYIVCQMNFAW-UHFFFAOYSA-N
XLogP2.64
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 116703773
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703677
2-amino-1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 116743620
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928505
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875
ethyl 2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentanoate
CID 116704961
[2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 116703729
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733881
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
(1R)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909629

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 116733877) is [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is CCOC(c1noc(C(O)c2ccccc2)n1)C1CC1.
What is the InChIKey of [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is CTKNYIVCQMNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-13(11-8-9-11)14-16-15(20-17-14)12(18)10-6-4-3-5-7-10/h3-7,11-13,18H,2,8-9H2,1H3.
What are the key properties of [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 274.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 116733877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).