4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol

C14H16N2O2 — CID 164630556

IUPAC4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESC[C@H](c1noc(Cc2ccc(O)cc2)n1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-9(11-4-5-11)14-15-13(18-16-14)8-10-2-6-12(17)7-3-10/h2-3,6-7,9,11,17H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyPAGXVNJUQVJWRC-VIFPVBQESA-N
MW244.29 g/mol
LogP2.88
Rot. Bonds4

About 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol

4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 164630556) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID164630556
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESC[C@H](c1noc(Cc2ccc(O)cc2)n1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-9(11-4-5-11)14-15-13(18-16-14)8-10-2-6-12(17)7-3-10/h2-3,6-7,9,11,17H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyPAGXVNJUQVJWRC-VIFPVBQESA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 164630556) is 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol is C[C@H](c1noc(Cc2ccc(O)cc2)n1)C1CC1.
What is the InChIKey of 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is PAGXVNJUQVJWRC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(11-4-5-11)14-15-13(18-16-14)8-10-2-6-12(17)7-3-10/h2-3,6-7,9,11,17H,4-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 244.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 164630556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).