5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole

C12H15NO — CID 142422179

IUPAC5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1ccc(C2CN=CO2)cc1
InChIInChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12/h3-6,8-9,12H,7H2,1-2H3
InChIKeyDJWVXXKGQKUJEW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.91
Rot. Bonds2

About 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole

5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 142422179) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID142422179
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1ccc(C2CN=CO2)cc1
InChIInChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12/h3-6,8-9,12H,7H2,1-2H3
InChIKeyDJWVXXKGQKUJEW-UHFFFAOYSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propan-2-ylphenyl)pyrazole-3,5-dione
CID 162468857
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[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158767
(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
CID 92531894
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
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6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
7-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114673396
3-(4-propan-2-ylphenyl)thiolane
CID 168806701
dimethyl-bis(4-propan-2-ylphenyl)silane
CID 59523824
(3R)-3-(4-propan-2-ylphenyl)oxane-2,6-dione
CID 98599522
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
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methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole (CID 142422179) is 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole is CC(C)c1ccc(C2CN=CO2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DJWVXXKGQKUJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142422179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).