2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol

C12H13NO2 — CID 112713239

IUPAC2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol
SMILESCC(C)(c1cocn1)c1ccccc1O
InChIInChI=1S/C12H13NO2/c1-12(2,11-7-15-8-13-11)9-5-3-4-6-10(9)14/h3-8,14H,1-2H3
InChIKeyWYTLPMXSAKNBFA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.71
Rot. Bonds2

About 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol

2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol (PubChem CID 112713239) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol
PubChem CID112713239
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol
SMILESCC(C)(c1cocn1)c1ccccc1O
InChIInChI=1S/C12H13NO2/c1-12(2,11-7-15-8-13-11)9-5-3-4-6-10(9)14/h3-8,14H,1-2H3
InChIKeyWYTLPMXSAKNBFA-UHFFFAOYSA-N
XLogP2.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
methane;3-methyl-3-phenylbutan-2-one;4-(2-phenylpropan-2-yl)-1,3-oxazole
CID 161198948
4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
CID 112713222
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-[2-[6-(methylamino)-2-pyridinyl]propan-2-yl]phenol;osmium
CID 58106959
CID 11255567
CID 11255567
CID 172777673
CID 172777673
potassium;2-tert-butylphenol;hydride
CID 174648142
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-tert-butylphenol;N-methylmethanamine
CID 161387965
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol?
The IUPAC name of 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol (CID 112713239) is 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol?
The canonical SMILES for 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol is CC(C)(c1cocn1)c1ccccc1O.
What is the InChIKey of 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol?
The InChIKey is WYTLPMXSAKNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2,11-7-15-8-13-11)9-5-3-4-6-10(9)14/h3-8,14H,1-2H3.
What are the key properties of 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol?
2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol has a molecular weight of 203.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-oxazol-4-yl)propan-2-yl]phenol is sourced from PubChem (CID 112713239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).