1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol

C14H17NO2 — CID 101346509

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
SMILESC=C(c1ccccc1)C(O)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-10(11-7-5-4-6-8-11)12(16)13-15-14(2,3)9-17-13/h4-8,12,16H,1,9H2,2-3H3
InChIKeyIJQHJPBCQNDHPA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.27
Rot. Bonds3

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol (PubChem CID 101346509) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
PubChem CID101346509
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
SMILESC=C(c1ccccc1)C(O)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-10(11-7-5-4-6-8-11)12(16)13-15-14(2,3)9-17-13/h4-8,12,16H,1,9H2,2-3H3
InChIKeyIJQHJPBCQNDHPA-UHFFFAOYSA-N
XLogP2.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol (CID 101346509) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol is 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-phenylprop-2-en-1-ol?
The InChIKey is IJQHJPBCQNDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(11-7-5-4-6-8-11)12(16)13-15-14(2,3)9-17-13/h4-8,12,16H,1,9H2,2-3H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol has a molecular weight of 231.29 g/mol, XLogP of 2.27, 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-phenylprop-2-en-1-ol is sourced from PubChem (CID 101346509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).