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

C11H13NO — CID 5325154

IUPAC(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyXFGDWXDHKJEUEA-NSHDSACASA-N
MW175.23 g/mol
LogP2.05
Rot. Bonds2

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

(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 5325154) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID5325154
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyXFGDWXDHKJEUEA-NSHDSACASA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
1-Methoxy-3-phenylpropan-2-amine
CID 5106602
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(R)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 59323824
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole (CID 5325154) is (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole is CC1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XFGDWXDHKJEUEA-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5325154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).