(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

C17H25NO2 — CID 134997019

IUPAC(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCC[C@H](C)C1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H25NO2/c1-4-5-9-13(2)17-18-15(12-19-3)16(20-17)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3/t13-,15-,16-/m0/s1
InChIKeyPKDIYTLYSARTAC-BPUTZDHNSA-N
MW275.39 g/mol
LogP4.00
Rot. Bonds7

About (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 134997019) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID134997019
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCC[C@H](C)C1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H25NO2/c1-4-5-9-13(2)17-18-15(12-19-3)16(20-17)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3/t13-,15-,16-/m0/s1
InChIKeyPKDIYTLYSARTAC-BPUTZDHNSA-N
XLogP4.00
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
CID 15319326
1-chloro-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-methylbutan-2-ol
CID 10805022
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(3-phenyloxiran-2-yl)-4,5-dihydro-1,3-oxazole
CID 101115518
4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole
CID 14715377
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 10869276
(4S,5S)-4-(methoxymethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11162788
4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 19793861
(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine
CID 101110180
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline
CID 10621723
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl acetate
CID 163623507

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (CID 134997019) is (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is CCCC[C@H](C)C1=N[C@@H](COC)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PKDIYTLYSARTAC-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-9-13(2)17-18-15(12-19-3)16(20-17)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3/t13-,15-,16-/m0/s1.
What are the key properties of (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 275.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).