5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole

C15H17NO3 — CID 58549981

IUPAC5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
SMILESC=C(Cc1cc(C)no1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO3/c1-10(7-13-8-11(2)16-19-13)12-5-6-14(17-3)15(9-12)18-4/h5-6,8-9H,1,7H2,2-4H3
InChIKeyPBCCHBKATFWKMF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole

5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole (PubChem CID 58549981) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
PubChem CID58549981
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
SMILESC=C(Cc1cc(C)no1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO3/c1-10(7-13-8-11(2)16-19-13)12-5-6-14(17-3)15(9-12)18-4/h5-6,8-9H,1,7H2,2-4H3
InChIKeyPBCCHBKATFWKMF-UHFFFAOYSA-N
XLogP3.26
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
CID 141154301
(3-methoxy-4-prop-2-enoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51278593
9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
CID 141154302
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
CID 141154304
2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
CID 118728002
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218
N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883561
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
CID 71995338
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole (CID 58549981) is 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole is C=C(Cc1cc(C)no1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole?
The InChIKey is PBCCHBKATFWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(7-13-8-11(2)16-19-13)12-5-6-14(17-3)15(9-12)18-4/h5-6,8-9H,1,7H2,2-4H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole?
5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole has a molecular weight of 259.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 58549981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).