N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C19H17F3N2O3S — CID 97066579

IUPACN-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3S/c1-11-14(24-18(27-11)16-3-2-8-28-16)9-17(26)23-15(10-25)12-4-6-13(7-5-12)19(20,21)22/h2-8,15,25H,9-10H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyTYYJOIMKOPWNTA-OAHLLOKOSA-N
MW410.42 g/mol
LogP4.12
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 97066579) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID97066579
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3S/c1-11-14(24-18(27-11)16-3-2-8-28-16)9-17(26)23-15(10-25)12-4-6-13(7-5-12)19(20,21)22/h2-8,15,25H,9-10H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyTYYJOIMKOPWNTA-OAHLLOKOSA-N
XLogP4.12
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
N-[1-(2,4-difluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24666325
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38783584
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119526928
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119616911
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120546766
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55637699

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 97066579) is N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is TYYJOIMKOPWNTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-11-14(24-18(27-11)16-3-2-8-28-16)9-17(26)23-15(10-25)12-4-6-13(7-5-12)19(20,21)22/h2-8,15,25H,9-10H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 410.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 97066579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).