2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C34H33F3N6O3 — CID 58429017

IUPAC2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCc1ccc2oc(N3CCN(c4ccc(CC(=O)c5oc(N6CCC(c7ccccc7)CC6)nc5C(F)(F)F)cn4)CC3)nc2c1
InChIInChI=1S/C34H33F3N6O3/c1-22-7-9-28-26(19-22)39-32(45-28)43-17-15-41(16-18-43)29-10-8-23(21-38-29)20-27(44)30-31(34(35,36)37)40-33(46-30)42-13-11-25(12-14-42)24-5-3-2-4-6-24/h2-10,19,21,25H,11-18,20H2,1H3
InChIKeyARFRBSJVFHBPKY-UHFFFAOYSA-N
MW630.67 g/mol
LogP6.67
Rot. Bonds7

About 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58429017) has the molecular formula C34H33F3N6O3 and a molecular weight of 630.67 g/mol. Its IUPAC name is 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58429017
Molecular FormulaC34H33F3N6O3
Molecular Weight630.67 g/mol
Exact Mass630.26
IUPAC Name2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCc1ccc2oc(N3CCN(c4ccc(CC(=O)c5oc(N6CCC(c7ccccc7)CC6)nc5C(F)(F)F)cn4)CC3)nc2c1
InChIInChI=1S/C34H33F3N6O3/c1-22-7-9-28-26(19-22)39-32(45-28)43-17-15-41(16-18-43)29-10-8-23(21-38-29)20-27(44)30-31(34(35,36)37)40-33(46-30)42-13-11-25(12-14-42)24-5-3-2-4-6-24/h2-10,19,21,25H,11-18,20H2,1H3
InChIKeyARFRBSJVFHBPKY-UHFFFAOYSA-N
XLogP6.67
TPSA91.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

Serabelisib
CID 70798655
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
4-(1,3-benzoxazol-7-yl)-1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]butan-1-one
CID 162668909
(2-Butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 24819575
6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164610761
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 50991340
5-(1-Methylindol-5-yl)-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole
CID 68656913
5-[3-(4,4-Difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
CID 70648859
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
CID 70798436
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 70798615
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 70798616

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58429017) is 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is Cc1ccc2oc(N3CCN(c4ccc(CC(=O)c5oc(N6CCC(c7ccccc7)CC6)nc5C(F)(F)F)cn4)CC3)nc2c1.
What is the InChIKey of 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is ARFRBSJVFHBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N6O3/c1-22-7-9-28-26(19-22)39-32(45-28)43-17-15-41(16-18-43)29-10-8-23(21-38-29)20-27(44)30-31(34(35,36)37)40-33(46-30)42-13-11-25(12-14-42)24-5-3-2-4-6-24/h2-10,19,21,25H,11-18,20H2,1H3.
What are the key properties of 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 630.67 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58429017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).