1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea

C30H35F3N6O4 — CID 58428785

IUPAC1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C30H35F3N6O4/c1-42-23-8-5-20(6-9-23)18-35-28(41)36-22-11-15-38(16-12-22)25-10-7-21(19-34-25)17-24(40)26-27(30(31,32)33)37-29(43-26)39-13-3-2-4-14-39/h5-10,19,22H,2-4,11-18H2,1H3,(H2,35,36,41)
InChIKeyORVPRHDUHXNEOF-UHFFFAOYSA-N
MW600.64 g/mol
LogP4.98
Rot. Bonds9

About 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea

1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 58428785) has the molecular formula C30H35F3N6O4 and a molecular weight of 600.64 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea
PubChem CID58428785
Molecular FormulaC30H35F3N6O4
Molecular Weight600.64 g/mol
Exact Mass600.27
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C30H35F3N6O4/c1-42-23-8-5-20(6-9-23)18-35-28(41)36-22-11-15-38(16-12-22)25-10-7-21(19-34-25)17-24(40)26-27(30(31,32)33)37-29(43-26)39-13-3-2-4-14-39/h5-10,19,22H,2-4,11-18H2,1H3,(H2,35,36,41)
InChIKeyORVPRHDUHXNEOF-UHFFFAOYSA-N
XLogP4.98
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.64
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea with MolForge

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Related Compounds

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
1,3-dimethyl-6-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451129
6-[4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451165
3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208314
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
4-Methyl-2-phenyl-oxazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 57401962
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea (CID 58428785) is 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea is COc1ccc(CNC(=O)NC2CCN(c3ccc(CC(=O)c4oc(N5CCCCC5)nc4C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is ORVPRHDUHXNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N6O4/c1-42-23-8-5-20(6-9-23)18-35-28(41)36-22-11-15-38(16-12-22)25-10-7-21(19-34-25)17-24(40)26-27(30(31,32)33)37-29(43-26)39-13-3-2-4-14-39/h5-10,19,22H,2-4,11-18H2,1H3,(H2,35,36,41).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea?
1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 600.64 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 58428785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).