2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol

C14H17NO3 — CID 115086826

IUPAC2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol
SMILESCOc1ccccc1Cc1ncc(C(C)CO)o1
InChIInChI=1S/C14H17NO3/c1-10(9-16)13-8-15-14(18-13)7-11-5-3-4-6-12(11)17-2/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyCYDBPSARMZYAIW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol

2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol (PubChem CID 115086826) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol
PubChem CID115086826
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol
SMILESCOc1ccccc1Cc1ncc(C(C)CO)o1
InChIInChI=1S/C14H17NO3/c1-10(9-16)13-8-15-14(18-13)7-11-5-3-4-6-12(11)17-2/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyCYDBPSARMZYAIW-UHFFFAOYSA-N
XLogP2.37
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
[5-[(2-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093727
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
(2-(111C)methoxyphenyl)methanol
CID 59897789
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
[4-[(2-methoxyphenyl)methyl]phenyl]methanol
CID 54205335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol (CID 115086826) is 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol is COc1ccccc1Cc1ncc(C(C)CO)o1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol?
The InChIKey is CYDBPSARMZYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(9-16)13-8-15-14(18-13)7-11-5-3-4-6-12(11)17-2/h3-6,8,10,16H,7,9H2,1-2H3.
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol?
2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 115086826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).