1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C16H22N6O2 — CID 51085056

IUPAC1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCc1cc(CN(C)C(=O)NC2CCCN(c3ncccn3)C2)no1
InChIInChI=1S/C16H22N6O2/c1-12-9-14(20-24-12)10-21(2)16(23)19-13-5-3-8-22(11-13)15-17-6-4-7-18-15/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,19,23)
InChIKeySLDYRNUMCALCSE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.58
Rot. Bonds4

About 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 51085056) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID51085056
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCc1cc(CN(C)C(=O)NC2CCCN(c3ncccn3)C2)no1
InChIInChI=1S/C16H22N6O2/c1-12-9-14(20-24-12)10-21(2)16(23)19-13-5-3-8-22(11-13)15-17-6-4-7-18-15/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,19,23)
InChIKeySLDYRNUMCALCSE-UHFFFAOYSA-N
XLogP1.58
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 51085056) is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is Cc1cc(CN(C)C(=O)NC2CCCN(c3ncccn3)C2)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is SLDYRNUMCALCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-9-14(20-24-12)10-21(2)16(23)19-13-5-3-8-22(11-13)15-17-6-4-7-18-15/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 330.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 51085056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).