1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

C19H26N4O2 — CID 48814995

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)oc1C
InChIInChI=1S/C19H26N4O2/c1-14-15(2)25-19(21-14)22-18(24)20-12-16-8-10-23(11-9-16)13-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyHQWZJPAQDOHVOZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.33
Rot. Bonds5

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

1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (PubChem CID 48814995) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
PubChem CID48814995
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)oc1C
InChIInChI=1S/C19H26N4O2/c1-14-15(2)25-19(21-14)22-18(24)20-12-16-8-10-23(11-9-16)13-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyHQWZJPAQDOHVOZ-UHFFFAOYSA-N
XLogP3.33
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (CID 48814995) is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is Cc1nc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)oc1C.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The InChIKey is HQWZJPAQDOHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-15(2)25-19(21-14)22-18(24)20-12-16-8-10-23(11-9-16)13-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 48814995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).