2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole

C10H11NO — CID 3770227

IUPAC2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C10H11NO/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyNYTUDOKVKPJSOI-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.77
Rot. Bonds1

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

2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 3770227) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID3770227
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C10H11NO/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyNYTUDOKVKPJSOI-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-2-(4-methylbenzyloxy)ethylamine hydrochloride
CID 213029
2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
Azlactone
CID 65073
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 3770227) is 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NYTUDOKVKPJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3770227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).