2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

C18H23FN2O4S — CID 143964863

IUPAC2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESC[C@H](O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C18H23FN2O4S/c1-11(22)17(2,3)14-10-15(25-21-14)20-16(23)18(4,5)26(24)13-8-6-12(19)7-9-13/h6-11,22H,1-5H3,(H,20,23)/t11-,26?/m0/s1
InChIKeyDSBSBGCQRDNRBT-AIGWJHGLSA-N
MW382.46 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 143964863) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID143964863
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESC[C@H](O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C18H23FN2O4S/c1-11(22)17(2,3)14-10-15(25-21-14)20-16(23)18(4,5)26(24)13-8-6-12(19)7-9-13/h6-11,22H,1-5H3,(H,20,23)/t11-,26?/m0/s1
InChIKeyDSBSBGCQRDNRBT-AIGWJHGLSA-N
XLogP3.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 91117963
N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45110253
2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 51348564
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 58198732
2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
CID 67953233
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
CID 71103757
2-[cyclopropylmethyl(methylidene)-λ4-sulfanyl]-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 89078441
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7630632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (CID 143964863) is 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is C[C@H](O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)c2ccc(F)cc2)on1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is DSBSBGCQRDNRBT-AIGWJHGLSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-11(22)17(2,3)14-10-15(25-21-14)20-16(23)18(4,5)26(24)13-8-6-12(19)7-9-13/h6-11,22H,1-5H3,(H,20,23)/t11-,26?/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 143964863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).