1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol

C14H17NO3 — CID 71290976

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol
SMILESCOc1cc(-c2c(C)noc2C)cc(C(C)O)c1
InChIInChI=1S/C14H17NO3/c1-8-14(10(3)18-15-8)12-5-11(9(2)16)6-13(7-12)17-4/h5-7,9,16H,1-4H3
InChIKeyBJSNCHNKYZACQC-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol (PubChem CID 71290976) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol
PubChem CID71290976
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol
SMILESCOc1cc(-c2c(C)noc2C)cc(C(C)O)c1
InChIInChI=1S/C14H17NO3/c1-8-14(10(3)18-15-8)12-5-11(9(2)16)6-13(7-12)17-4/h5-7,9,16H,1-4H3
InChIKeyBJSNCHNKYZACQC-UHFFFAOYSA-N
XLogP3.02
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
Oxfbd03
CID 71624782
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(R)-Hydroxy(Phenyl)methyl]phenol
CID 70699440
1-[3-(Dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethan-1-ol
CID 54669868
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
Oxfbd02
CID 56929801
4-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 91048889
3-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127047529
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol
CID 139547911
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-Ethoxybenzoic Acid
CID 53308655
[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol
CID 71624784
[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone
CID 71624897

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol (CID 71290976) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol is COc1cc(-c2c(C)noc2C)cc(C(C)O)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol?
The InChIKey is BJSNCHNKYZACQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-14(10(3)18-15-8)12-5-11(9(2)16)6-13(7-12)17-4/h5-7,9,16H,1-4H3.
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol has a molecular weight of 247.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]ethanol is sourced from PubChem (CID 71290976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).