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

C17H24N6O2 — CID 51084264

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6O2/c1-12-15(13(2)25-21-12)11-22(3)17(24)20-14-5-9-23(10-6-14)16-18-7-4-8-19-16/h4,7-8,14H,5-6,9-11H2,1-3H3,(H,20,24)
InChIKeyANNQJQDZZMVMOM-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.89
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 51084264) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID51084264
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6O2/c1-12-15(13(2)25-21-12)11-22(3)17(24)20-14-5-9-23(10-6-14)16-18-7-4-8-19-16/h4,7-8,14H,5-6,9-11H2,1-3H3,(H,20,24)
InChIKeyANNQJQDZZMVMOM-UHFFFAOYSA-N
XLogP1.89
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 51084264) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is Cc1noc(C)c1CN(C)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is ANNQJQDZZMVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-15(13(2)25-21-12)11-22(3)17(24)20-14-5-9-23(10-6-14)16-18-7-4-8-19-16/h4,7-8,14H,5-6,9-11H2,1-3H3,(H,20,24).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 344.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 51084264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).