2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone

C16H19NO3 — CID 160839881

IUPAC2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone
SMILESCc1ccc(O)c(CC(=O)c2cc(CC(C)C)on2)c1
InChIInChI=1S/C16H19NO3/c1-10(2)6-13-9-14(17-20-13)16(19)8-12-7-11(3)4-5-15(12)18/h4-5,7,9-10,18H,6,8H2,1-3H3
InChIKeyRGDRVAHOXRFQIZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone

2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 160839881) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone
PubChem CID160839881
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone
SMILESCc1ccc(O)c(CC(=O)c2cc(CC(C)C)on2)c1
InChIInChI=1S/C16H19NO3/c1-10(2)6-13-9-14(17-20-13)16(19)8-12-7-11(3)4-5-15(12)18/h4-5,7,9-10,18H,6,8H2,1-3H3
InChIKeyRGDRVAHOXRFQIZ-UHFFFAOYSA-N
XLogP3.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
CID 63322956
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253336
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95135631
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
CID 139494540
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone (CID 160839881) is 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone is Cc1ccc(O)c(CC(=O)c2cc(CC(C)C)on2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is RGDRVAHOXRFQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)6-13-9-14(17-20-13)16(19)8-12-7-11(3)4-5-15(12)18/h4-5,7,9-10,18H,6,8H2,1-3H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone?
2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 273.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)-1-[5-(2-methylpropyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 160839881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).