4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 73120912

IUPAC4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NC(C)C(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyBQNFIMSWUQQBGR-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.20
Rot. Bonds2

About 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole

4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 73120912) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID73120912
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=NC(C)C(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyBQNFIMSWUQQBGR-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15112120
(4R,5R)-2-(dichloromethyl)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazole;sulfur dioxide
CID 123477614
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
2-(azepan-1-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 21392987
(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15320023
(4R,5S)-4-methyl-2-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15896957
(4R,5S)-4-methyl-5-phenyl-2,3-di(propan-2-yl)-4,5-dihydro-1,3-oxazol-3-ium
CID 170933131
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 119058040
(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
CID 134876417
(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134997019

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 73120912) is 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1=NC(C)C(c2ccccc2)O1.
What is the InChIKey of 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BQNFIMSWUQQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)13-14-10(3)12(15-13)11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 73120912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).