N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

C19H13F3N2O2S — CID 6623807

IUPACN-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2S/c1-24(12-6-4-5-11(9-12)19(20,21)22)18(25)16-14-10-27-15-8-3-2-7-13(15)17(14)26-23-16/h2-9H,10H2,1H3
InChIKeyKYVJFRIDFWHIPJ-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.24
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 6623807) has the molecular formula C19H13F3N2O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID6623807
Molecular FormulaC19H13F3N2O2S
Molecular Weight390.39 g/mol
Exact Mass390.06
IUPAC NameN-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2S/c1-24(12-6-4-5-11(9-12)19(20,21)22)18(25)16-14-10-27-15-8-3-2-7-13(15)17(14)26-23-16/h2-9H,10H2,1H3
InChIKeyKYVJFRIDFWHIPJ-UHFFFAOYSA-N
XLogP5.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517092
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516787
N,N-dimethyl-5-[(1Z)-1-[N-methyl-3-(trifluoromethyl)anilino]-3-(trifluoromethyl)buta-1,3-dienyl]thiophene-2-carboxamide
CID 89331814
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079103
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide
CID 15997027
8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273627
7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
CID 6622004

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 6623807) is N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is CN(C(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is KYVJFRIDFWHIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2S/c1-24(12-6-4-5-11(9-12)19(20,21)22)18(25)16-14-10-27-15-8-3-2-7-13(15)17(14)26-23-16/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 6623807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).