1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol

C15H17NO2 — CID 11075659

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(c1ccccc1)C(O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H17NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h5-9,13,17H,1,10H2,2-3H3
InChIKeyCGQIEFKGPKJIPV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds3

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol (PubChem CID 11075659) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol
PubChem CID11075659
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(c1ccccc1)C(O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H17NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h5-9,13,17H,1,10H2,2-3H3
InChIKeyCGQIEFKGPKJIPV-UHFFFAOYSA-N
XLogP2.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
((4S,5S)-2-Benzyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 10262798
[(4S,5S)-5-ethenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 44394872
Ethyl 2-hydroxy-2-phenylethanimidate
CID 425536
Ethyl 1-hydroxy-1-phenylmethanecarboximidate hydrochloride
CID 12387918
methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride
CID 12916643
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
3-[Hydroxy(phenyl)methyl]-3,6-dimethoxy-3,6-dihydro-pyrazine
CID 129801310
(1S)-1-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
CID 134930762
(1R)-1-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
CID 134930763
(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
CID 134930848

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol (CID 11075659) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol is C=C=C(c1ccccc1)C(O)C1=NC(C)(C)CO1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol?
The InChIKey is CGQIEFKGPKJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h5-9,13,17H,1,10H2,2-3H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol is sourced from PubChem (CID 11075659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).