3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea

C22H33N5O2 — CID 126785691

IUPAC3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
SMILESCc1noc(C)c1C(C)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16(21-17(2)25-29-18(21)3)15-24-22(28)26(4)20-9-13-27(14-10-20)12-8-19-7-5-6-11-23-19/h5-7,11,16,20H,8-10,12-15H2,1-4H3,(H,24,28)
InChIKeyWYQMBGRMBPJDDR-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.14
Rot. Bonds7

About 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea (PubChem CID 126785691) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
PubChem CID126785691
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
SMILESCc1noc(C)c1C(C)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16(21-17(2)25-29-18(21)3)15-24-22(28)26(4)20-9-13-27(14-10-20)12-8-19-7-5-6-11-23-19/h5-7,11,16,20H,8-10,12-15H2,1-4H3,(H,24,28)
InChIKeyWYQMBGRMBPJDDR-UHFFFAOYSA-N
XLogP3.14
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 136517389
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141643

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea (CID 126785691) is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea is Cc1noc(C)c1C(C)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
The InChIKey is WYQMBGRMBPJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16(21-17(2)25-29-18(21)3)15-24-22(28)26(4)20-9-13-27(14-10-20)12-8-19-7-5-6-11-23-19/h5-7,11,16,20H,8-10,12-15H2,1-4H3,(H,24,28).
What are the key properties of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea?
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea has a molecular weight of 399.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 126785691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).