3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide

C19H26N4O2 — CID 120967146

IUPAC3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H26N4O2/c20-10-9-19(24)21-13-17-8-4-5-11-23(17)14-16-12-18(25-22-16)15-6-2-1-3-7-15/h1-3,6-7,12,17H,4-5,8-11,13-14,20H2,(H,21,24)
InChIKeyIDTRKPMSIXIWET-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.16
Rot. Bonds7

About 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120967146) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120967146
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H26N4O2/c20-10-9-19(24)21-13-17-8-4-5-11-23(17)14-16-12-18(25-22-16)15-6-2-1-3-7-15/h1-3,6-7,12,17H,4-5,8-11,13-14,20H2,(H,21,24)
InChIKeyIDTRKPMSIXIWET-UHFFFAOYSA-N
XLogP2.16
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
3-amino-N-[[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581407
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911172
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655523
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide (CID 120967146) is 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is IDTRKPMSIXIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-10-9-19(24)21-13-17-8-4-5-11-23(17)14-16-12-18(25-22-16)15-6-2-1-3-7-15/h1-3,6-7,12,17H,4-5,8-11,13-14,20H2,(H,21,24).
What are the key properties of 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120967146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).