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

C16H23NO — CID 149420801

IUPAC(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H](C)[C@H](C)C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H23NO/c1-4-12(2)13(3)16-17-15(11-18-16)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-,15-/m0/s1
InChIKeyYTCQEXAOCIQYPM-YDHLFZDLSA-N
MW245.37 g/mol
LogP3.71
Rot. Bonds5

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

(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 149420801) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID149420801
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H](C)[C@H](C)C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H23NO/c1-4-12(2)13(3)16-17-15(11-18-16)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-,15-/m0/s1
InChIKeyYTCQEXAOCIQYPM-YDHLFZDLSA-N
XLogP3.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
CID 130474058
N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
CID 139579499
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
N-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-ethylbut-3-enyl]acetamide
CID 130474095
N-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-2,3,4,5,6-pentafluorobenzamide
CID 130474065
(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)-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-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole (CID 149420801) is (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole is CC[C@H](C)[C@H](C)C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YTCQEXAOCIQYPM-YDHLFZDLSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12(2)13(3)16-17-15(11-18-16)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-,15-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 3.71, 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,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 149420801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).