N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

C23H20F3N3O4S — CID 46540899

IUPACN-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C23H20F3N3O4S/c24-23(25,26)33-17-8-6-14(7-9-17)11-18-13-27-22(34-18)29-20(30)15-3-1-4-16(12-15)28-21(31)19-5-2-10-32-19/h1,3-4,6-9,12-13,19H,2,5,10-11H2,(H,28,31)(H,27,29,30)
InChIKeyNAESBDKALJXINQ-UHFFFAOYSA-N
MW491.49 g/mol
LogP5.00
Rot. Bonds7

About N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46540899) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46540899
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC NameN-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C23H20F3N3O4S/c24-23(25,26)33-17-8-6-14(7-9-17)11-18-13-27-22(34-18)29-20(30)15-3-1-4-16(12-15)28-21(31)19-5-2-10-32-19/h1,3-4,6-9,12-13,19H,2,5,10-11H2,(H,28,31)(H,27,29,30)
InChIKeyNAESBDKALJXINQ-UHFFFAOYSA-N
XLogP5.00
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
methyl 3-[[2-[[(2R)-oxolane-2-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate
CID 95279728
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
N-[3-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111083065
3-(cyclopropylcarbamoylamino)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 55909172
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
4-(acetamidomethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535692
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 46540899) is N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is NAESBDKALJXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c24-23(25,26)33-17-8-6-14(7-9-17)11-18-13-27-22(34-18)29-20(30)15-3-1-4-16(12-15)28-21(31)19-5-2-10-32-19/h1,3-4,6-9,12-13,19H,2,5,10-11H2,(H,28,31)(H,27,29,30).
What are the key properties of N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46540899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).