(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole

C18H17F2NO3 — CID 71698320

IUPAC(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(OC(F)(F)C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H17F2NO3/c1-22-15-7-9-16(10-8-15)24-18(19,20)17-21-14(12-23-17)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3/t14-/m0/s1
InChIKeyVQLCAWOYCKTCQR-AWEZNQCLSA-N
MW333.33 g/mol
LogP3.71
Rot. Bonds6

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

(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 71698320) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID71698320
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(OC(F)(F)C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H17F2NO3/c1-22-15-7-9-16(10-8-15)24-18(19,20)17-21-14(12-23-17)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3/t14-/m0/s1
InChIKeyVQLCAWOYCKTCQR-AWEZNQCLSA-N
XLogP3.71
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-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

(4S)-4-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227
(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
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
CID 170897725
4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061820
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 154729680
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
(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
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
CID 130474058

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole (CID 71698320) is (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole is COc1ccc(OC(F)(F)C2=N[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VQLCAWOYCKTCQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-22-15-7-9-16(10-8-15)24-18(19,20)17-21-14(12-23-17)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 333.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71698320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).