N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C26H22Cl2F3N5O3 — CID 67391139

IUPACN-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1
InChIInChI=1S/C26H22Cl2F3N5O3/c1-14-4-3-10-35(13-14)25-34-22(26(29,30)31)21(39-25)23(37)32-16-7-8-19-15(12-16)9-11-36(19)24(38)33-20-17(27)5-2-6-18(20)28/h2,5-9,11-12,14H,3-4,10,13H2,1H3,(H,32,37)(H,33,38)
InChIKeyCYYUXDZPJCQLLU-UHFFFAOYSA-N
MW580.39 g/mol
LogP7.52
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67391139) has the molecular formula C26H22Cl2F3N5O3 and a molecular weight of 580.39 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67391139
Molecular FormulaC26H22Cl2F3N5O3
Molecular Weight580.39 g/mol
Exact Mass579.11
IUPAC NameN-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1
InChIInChI=1S/C26H22Cl2F3N5O3/c1-14-4-3-10-35(13-14)25-34-22(26(29,30)31)21(39-25)23(37)32-16-7-8-19-15(12-16)9-11-36(19)24(38)33-20-17(27)5-2-6-18(20)28/h2,5-9,11-12,14H,3-4,10,13H2,1H3,(H,32,37)(H,33,38)
InChIKeyCYYUXDZPJCQLLU-UHFFFAOYSA-N
XLogP7.52
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.39
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 57461809
2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208787
3-[[4-[4-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]benzoyl]amino]propanoic acid
CID 58428485
1-[6-[4-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 46212567
2-(1-benzylsulfonylindol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428995
N-[6-[2-[bis(4-fluorophenyl)methyl-ethylamino]ethyl-methylamino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 91360280
2-[butyl-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]butyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 90834571
N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391714
2-(4-phenylpiperidin-1-yl)-N-[6-(3-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391215
2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 58429093
2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428795

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67391139) is N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is CYYUXDZPJCQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F3N5O3/c1-14-4-3-10-35(13-14)25-34-22(26(29,30)31)21(39-25)23(37)32-16-7-8-19-15(12-16)9-11-36(19)24(38)33-20-17(27)5-2-6-18(20)28/h2,5-9,11-12,14H,3-4,10,13H2,1H3,(H,32,37)(H,33,38).
What are the key properties of N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 580.39 g/mol, XLogP of 7.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)carbamoyl]indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67391139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).