3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C22H31N3O2 — CID 55721751

IUPAC3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-15(2)21-20(17(4)24-27-21)22(26)23-12-18-7-9-19(10-8-18)14-25-11-5-6-16(3)13-25/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,23,26)
InChIKeyQTFNZGGUIFINMN-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.27
Rot. Bonds6

About 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 55721751) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID55721751
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-15(2)21-20(17(4)24-27-21)22(26)23-12-18-7-9-19(10-8-18)14-25-11-5-6-16(3)13-25/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,23,26)
InChIKeyQTFNZGGUIFINMN-UHFFFAOYSA-N
XLogP4.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

4-bromo-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
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4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
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CID 94023972
1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 71865034
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 55721751) is 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QTFNZGGUIFINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)21-20(17(4)24-27-21)22(26)23-12-18-7-9-19(10-8-18)14-25-11-5-6-16(3)13-25/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,23,26).
What are the key properties of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55721751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).