N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide

C25H26F3N5O2S — CID 135262681

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCc3noc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C25H26F3N5O2S/c1-2-3-6-16(11-15-12-29-19-8-5-4-7-17(15)19)31-23(34)21-13-30-24(36-21)33-10-9-20-18(14-33)22(35-32-20)25(26,27)28/h4-5,7-8,12-13,16,29H,2-3,6,9-11,14H2,1H3,(H,31,34)
InChIKeyBCQKLWAXGPWHAF-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.73
Rot. Bonds8

About N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 135262681) has the molecular formula C25H26F3N5O2S and a molecular weight of 517.58 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID135262681
Molecular FormulaC25H26F3N5O2S
Molecular Weight517.58 g/mol
Exact Mass517.18
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCc3noc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C25H26F3N5O2S/c1-2-3-6-16(11-15-12-29-19-8-5-4-7-17(15)19)31-23(34)21-13-30-24(36-21)33-10-9-20-18(14-33)22(35-32-20)25(26,27)28/h4-5,7-8,12-13,16,29H,2-3,6,9-11,14H2,1H3,(H,31,34)
InChIKeyBCQKLWAXGPWHAF-UHFFFAOYSA-N
XLogP5.73
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide (CID 135262681) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCc3noc(C(F)(F)F)c3C2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BCQKLWAXGPWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2S/c1-2-3-6-16(11-15-12-29-19-8-5-4-7-17(15)19)31-23(34)21-13-30-24(36-21)33-10-9-20-18(14-33)22(35-32-20)25(26,27)28/h4-5,7-8,12-13,16,29H,2-3,6,9-11,14H2,1H3,(H,31,34).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 517.58 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135262681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).