1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea

C19H26N4O2 — CID 71865034

IUPAC1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC1CCCN(Cc2ccc(CNC(=O)NCc3ccon3)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-15-3-2-9-23(13-15)14-17-6-4-16(5-7-17)11-20-19(24)21-12-18-8-10-25-22-18/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,20,21,24)
InChIKeyXWFBGQJTMJXSRV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds6

About 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 71865034) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID71865034
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC1CCCN(Cc2ccc(CNC(=O)NCc3ccon3)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-15-3-2-9-23(13-15)14-17-6-4-16(5-7-17)11-20-19(24)21-12-18-8-10-25-22-18/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,20,21,24)
InChIKeyXWFBGQJTMJXSRV-UHFFFAOYSA-N
XLogP2.91
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111965306
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55721751
1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96835180
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205
5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
CID 78876241
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 71865034) is 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea is CC1CCCN(Cc2ccc(CNC(=O)NCc3ccon3)cc2)C1.
What is the InChIKey of 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is XWFBGQJTMJXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-3-2-9-23(13-15)14-17-6-4-16(5-7-17)11-20-19(24)21-12-18-8-10-25-22-18/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 71865034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).