4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide

C23H25FN2O4S — CID 140823476

IUPAC4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide
SMILESCOCc1ccc(-c2nc(CS(=O)C(CCc3ccc(F)cc3)C(N)=O)c(C)o2)cc1
InChIInChI=1S/C23H25FN2O4S/c1-15-20(26-23(30-15)18-8-3-17(4-9-18)13-29-2)14-31(28)21(22(25)27)12-7-16-5-10-19(24)11-6-16/h3-6,8-11,21H,7,12-14H2,1-2H3,(H2,25,27)
InChIKeyKCQUDRXAVSOYPF-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.67
Rot. Bonds10

About 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide

4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide (PubChem CID 140823476) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide
PubChem CID140823476
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide
SMILESCOCc1ccc(-c2nc(CS(=O)C(CCc3ccc(F)cc3)C(N)=O)c(C)o2)cc1
InChIInChI=1S/C23H25FN2O4S/c1-15-20(26-23(30-15)18-8-3-17(4-9-18)13-29-2)14-31(28)21(22(25)27)12-7-16-5-10-19(24)11-6-16/h3-6,8-11,21H,7,12-14H2,1-2H3,(H2,25,27)
InChIKeyKCQUDRXAVSOYPF-UHFFFAOYSA-N
XLogP3.67
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide 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

5-(4-fluorophenyl)-1-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]pentan-2-one
CID 158067966
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
2-[(R)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92662652
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195
2-[(4-fluorophenyl)methylamino]-3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22337545
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
ethyl 2-[(4-fluorophenyl)methylamino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10195956

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide (CID 140823476) is 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide is COCc1ccc(-c2nc(CS(=O)C(CCc3ccc(F)cc3)C(N)=O)c(C)o2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide?
The InChIKey is KCQUDRXAVSOYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-15-20(26-23(30-15)18-8-3-17(4-9-18)13-29-2)14-31(28)21(22(25)27)12-7-16-5-10-19(24)11-6-16/h3-6,8-11,21H,7,12-14H2,1-2H3,(H2,25,27).
What are the key properties of 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide?
4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide has a molecular weight of 444.53 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]butanamide is sourced from PubChem (CID 140823476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).