(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole

C10H11NO — CID 15619834

IUPAC(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H11NO/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1
InChIKeyOADZSDHBFLIAPX-SNVBAGLBSA-N
MW161.20 g/mol
LogP2.18
Rot. Bonds1

About (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 15619834) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID15619834
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H11NO/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1
InChIKeyOADZSDHBFLIAPX-SNVBAGLBSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S)-Rexamino
CID 11116360
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
AG-H-02521
CID 5325154
Rexamino
CID 10654553
2,4-Diphenyl-1,3-oxazoline
CID 10889524
(4R)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323725
4-(2-Methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323891

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole (CID 15619834) is (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole is CC1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OADZSDHBFLIAPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15619834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).