N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C26H30F3N5O2S — CID 142405196

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC=O.Cc1cnc(N2CCc3onc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C15H20N2O.C11H10F3N3OS/c1-2-3-6-13(17-11-18)9-12-10-16-15-8-5-4-7-14(12)15;1-6-4-15-10(19-6)17-3-2-8-7(5-17)9(16-18-8)11(12,13)14/h4-5,7-8,10-11,13,16H,2-3,6,9H2,1H3,(H,17,18);4H,2-3,5H2,1H3
InChIKeyISZPONABBQOIKG-UHFFFAOYSA-N
MW533.62 g/mol
LogP6.04
Rot. Bonds8

About N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 142405196) has the molecular formula C26H30F3N5O2S and a molecular weight of 533.62 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID142405196
Molecular FormulaC26H30F3N5O2S
Molecular Weight533.62 g/mol
Exact Mass533.21
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC=O.Cc1cnc(N2CCc3onc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C15H20N2O.C11H10F3N3OS/c1-2-3-6-13(17-11-18)9-12-10-16-15-8-5-4-7-14(12)15;1-6-4-15-10(19-6)17-3-2-8-7(5-17)9(16-18-8)11(12,13)14/h4-5,7-8,10-11,13,16H,2-3,6,9H2,1H3,(H,17,18);4H,2-3,5H2,1H3
InChIKeyISZPONABBQOIKG-UHFFFAOYSA-N
XLogP6.04
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

US10975066, Example 9
CID 126509183
US10975066, Example 23
CID 126510051
US10975066, Example 8
CID 126510082
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 169551922
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414450
2-[3-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 57919894
2-(4-methylpiperazin-1-yl)-N-[6,6,6-trifluoro-1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 118286148
2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 126509440
N-[5,5-difluoro-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 126536418
N-[4,4-difluoro-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 126536419
N-[3,3-difluoro-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 126536431
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 142405196) is N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCCCC(Cc1c[nH]c2ccccc12)NC=O.Cc1cnc(N2CCc3onc(C(F)(F)F)c3C2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is ISZPONABBQOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C11H10F3N3OS/c1-2-3-6-13(17-11-18)9-12-10-16-15-8-5-4-7-14(12)15;1-6-4-15-10(19-6)17-3-2-8-7(5-17)9(16-18-8)11(12,13)14/h4-5,7-8,10-11,13,16H,2-3,6,9H2,1H3,(H,17,18);4H,2-3,5H2,1H3.
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
N-[1-(1H-indol-3-yl)hexan-2-yl]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 533.62 g/mol, XLogP of 6.04, 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]formamide;5-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 142405196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).