(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

C13H17NO3 — CID 15668477

IUPAC(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C13H17NO3/c1-3-12(15)13-8-11(14-17-13)9-4-6-10(16-2)7-5-9/h4-7,12-13,15H,3,8H2,1-2H3/t12-,13-/m1/s1
InChIKeyYGZNDGANCXAWKC-CHWSQXEVSA-N
MW235.28 g/mol
LogP1.96
Rot. Bonds4

About (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 15668477) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
PubChem CID15668477
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C13H17NO3/c1-3-12(15)13-8-11(14-17-13)9-4-6-10(16-2)7-5-9/h4-7,12-13,15H,3,8H2,1-2H3/t12-,13-/m1/s1
InChIKeyYGZNDGANCXAWKC-CHWSQXEVSA-N
XLogP1.96
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol 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

2-(tert-butylamino)-1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 85086617
(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668475
(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10084954
2-[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 51674838
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylpropanamide
CID 24715443
(5R)-3-(4-methoxyphenyl)-5-[(2S)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10966475

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (CID 15668477) is (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is CC[C@@H](O)[C@H]1CC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is YGZNDGANCXAWKC-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-12(15)13-8-11(14-17-13)9-4-6-10(16-2)7-5-9/h4-7,12-13,15H,3,8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 235.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 15668477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).