5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C21H17Cl2F6N3O2S — CID 175876097

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C(F)(F)F)sc2c1CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
InChIInChI=1S/C21H17Cl2F6N3O2S/c1-9-14-7-32(8-15(14)35-17(9)18(33)30-10(2)20(24,25)26)16-6-19(34-31-16,21(27,28)29)11-3-12(22)5-13(23)4-11/h3-5,10H,6-8H2,1-2H3,(H,30,33)
InChIKeyJWRXRNLHNIXLNF-UHFFFAOYSA-N
MW560.35 g/mol
LogP6.55
Rot. Bonds3

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 175876097) has the molecular formula C21H17Cl2F6N3O2S and a molecular weight of 560.35 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID175876097
Molecular FormulaC21H17Cl2F6N3O2S
Molecular Weight560.35 g/mol
Exact Mass559.03
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C(F)(F)F)sc2c1CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
InChIInChI=1S/C21H17Cl2F6N3O2S/c1-9-14-7-32(8-15(14)35-17(9)18(33)30-10(2)20(24,25)26)16-6-19(34-31-16,21(27,28)29)11-3-12(22)5-13(23)4-11/h3-5,10H,6-8H2,1-2H3,(H,30,33)
InChIKeyJWRXRNLHNIXLNF-UHFFFAOYSA-N
XLogP6.55
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.35
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 175876097) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is Cc1c(C(=O)NC(C)C(F)(F)F)sc2c1CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is JWRXRNLHNIXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F6N3O2S/c1-9-14-7-32(8-15(14)35-17(9)18(33)30-10(2)20(24,25)26)16-6-19(34-31-16,21(27,28)29)11-3-12(22)5-13(23)4-11/h3-5,10H,6-8H2,1-2H3,(H,30,33).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 560.35 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 175876097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).