[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea

C16H20N4O2 — CID 146138459

IUPAC[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(Cc2cnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H20N4O2/c17-16(21)19-13-6-8-20(9-7-13)11-14-10-18-15(22-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,17,19,21)
InChIKeyACBURSBWYHCFLO-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.97
Rot. Bonds4

About [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea

[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea (PubChem CID 146138459) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
PubChem CID146138459
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(Cc2cnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H20N4O2/c17-16(21)19-13-6-8-20(9-7-13)11-14-10-18-15(22-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,17,19,21)
InChIKeyACBURSBWYHCFLO-UHFFFAOYSA-N
XLogP1.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 122098796
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 138027753
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 33106508
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
[1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidin-4-yl]urea
CID 66547786
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea?
The IUPAC name of [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea (CID 146138459) is [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea is NC(=O)NC1CCN(Cc2cnc(-c3ccccc3)o2)CC1.
What is the InChIKey of [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea?
The InChIKey is ACBURSBWYHCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16(21)19-13-6-8-20(9-7-13)11-14-10-18-15(22-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,17,19,21).
What are the key properties of [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea?
[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 146138459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).