[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol

C15H17NO3 — CID 169196805

IUPAC[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol
SMILESC=C(C)Cc1ccc(OC)c(-c2cc(CO)on2)c1
InChIInChI=1S/C15H17NO3/c1-10(2)6-11-4-5-15(18-3)13(7-11)14-8-12(9-17)19-16-14/h4-5,7-8,17H,1,6,9H2,2-3H3
InChIKeyBRBFCXOKELGWKS-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.96
Rot. Bonds5

About [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol

[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol (PubChem CID 169196805) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol
PubChem CID169196805
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol
SMILESC=C(C)Cc1ccc(OC)c(-c2cc(CO)on2)c1
InChIInChI=1S/C15H17NO3/c1-10(2)6-11-4-5-15(18-3)13(7-11)14-8-12(9-17)19-16-14/h4-5,7-8,17H,1,6,9H2,2-3H3
InChIKeyBRBFCXOKELGWKS-UHFFFAOYSA-N
XLogP2.96
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol (CID 169196805) is [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol is C=C(C)Cc1ccc(OC)c(-c2cc(CO)on2)c1.
What is the InChIKey of [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is BRBFCXOKELGWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(2)6-11-4-5-15(18-3)13(7-11)14-8-12(9-17)19-16-14/h4-5,7-8,17H,1,6,9H2,2-3H3.
What are the key properties of [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol?
[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 259.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 169196805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).