(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole

C15H21NO — CID 130474058

IUPAC(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H](C)CC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C15H21NO/c1-3-12(2)9-15-16-14(11-17-15)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyWKEBOTIKTWRRTG-JSGCOSHPSA-N
MW231.34 g/mol
LogP3.46
Rot. Bonds5

About (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole (PubChem CID 130474058) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
PubChem CID130474058
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H](C)CC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C15H21NO/c1-3-12(2)9-15-16-14(11-17-15)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyWKEBOTIKTWRRTG-JSGCOSHPSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-benzyl-2-[[3,5-bis[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074951
(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 149420801
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 135082755
(4S)-4-[[2,6-bis(4-fluorophenyl)phenyl]methyl]-2-[(2S)-2-methylpentyl]-4,5-dihydro-1,3-oxazole
CID 130474213
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(4S)-4-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227
(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 162393983
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole (CID 130474058) is (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole is CC[C@H](C)CC1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WKEBOTIKTWRRTG-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12(2)9-15-16-14(11-17-15)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 130474058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).