[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

C14H17Cl2NO2 — CID 89275447

IUPAC[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCC[C@H](C)C1ON=C(c2c(Cl)cccc2Cl)C1CO
InChIInChI=1S/C14H17Cl2NO2/c1-3-8(2)14-9(7-18)13(17-19-14)12-10(15)5-4-6-11(12)16/h4-6,8-9,14,18H,3,7H2,1-2H3/t8-,9?,14?/m0/s1
InChIKeyYWYZNKUKHDNXLV-JUXJKVCFSA-N
MW302.20 g/mol
LogP3.75
Rot. Bonds4

About [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (PubChem CID 89275447) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
PubChem CID89275447
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCC[C@H](C)C1ON=C(c2c(Cl)cccc2Cl)C1CO
InChIInChI=1S/C14H17Cl2NO2/c1-3-8(2)14-9(7-18)13(17-19-14)12-10(15)5-4-6-11(12)16/h4-6,8-9,14,18H,3,7H2,1-2H3/t8-,9?,14?/m0/s1
InChIKeyYWYZNKUKHDNXLV-JUXJKVCFSA-N
XLogP3.75
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (CID 89275447) is [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is CC[C@H](C)C1ON=C(c2c(Cl)cccc2Cl)C1CO.
What is the InChIKey of [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The InChIKey is YWYZNKUKHDNXLV-JUXJKVCFSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-3-8(2)14-9(7-18)13(17-19-14)12-10(15)5-4-6-11(12)16/h4-6,8-9,14,18H,3,7H2,1-2H3/t8-,9?,14?/m0/s1.
What are the key properties of [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol has a molecular weight of 302.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 89275447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).