2,2-dimethyl-4-phenyl-5H-1,3-oxazole

C11H13NO — CID 20517773

IUPAC2,2-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1(C)N=C(c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQBMLQURJJUWYBN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.24
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-5H-1,3-oxazole

2,2-dimethyl-4-phenyl-5H-1,3-oxazole (PubChem CID 20517773) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-5H-1,3-oxazole
PubChem CID20517773
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2,2-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1(C)N=C(c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQBMLQURJJUWYBN-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-benzyl-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine
CID 98984
Ethyl 2-phenylacetimidate hydrochloride
CID 12218775
4-phenyl-5H-1,2lambda6,3-oxathiazole-2,2-dione
CID 46176604
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
5-Amino-3-methyl-4-phenyl-1,2,3-oxadiazol-3-ium
CID 833073
Isoxazole, 4,5-dihydro-3-phenyl-
CID 840162
3-Phenyl-5-methylisoxazoline
CID 12228204
5-Isopropyl-3-phenyl-4,5-dihydroisoxazole
CID 86056955
Ethyl 2-phenylethanimidoate
CID 408218
5-Ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 10352169

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The IUPAC name of 2,2-dimethyl-4-phenyl-5H-1,3-oxazole (CID 20517773) is 2,2-dimethyl-4-phenyl-5H-1,3-oxazole.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The canonical SMILES for 2,2-dimethyl-4-phenyl-5H-1,3-oxazole is CC1(C)N=C(c2ccccc2)CO1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The InChIKey is QBMLQURJJUWYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
2,2-dimethyl-4-phenyl-5H-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 20517773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).