4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

C19H24N6O — CID 110129353

IUPAC4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(CC2CCN(Cc3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C19H24N6O/c1-13-19(14(2)26-24-13)17-10-16(22-12-23-17)9-15-3-7-25(8-4-15)11-18-20-5-6-21-18/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyWCCPAGMBXHKQDS-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.93
Rot. Bonds5

About 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110129353) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID110129353
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(CC2CCN(Cc3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C19H24N6O/c1-13-19(14(2)26-24-13)17-10-16(22-12-23-17)9-15-3-7-25(8-4-15)11-18-20-5-6-21-18/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyWCCPAGMBXHKQDS-UHFFFAOYSA-N
XLogP2.93
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (CID 110129353) is 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(CC2CCN(Cc3ncc[nH]3)CC2)ncn1.
What is the InChIKey of 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WCCPAGMBXHKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-19(14(2)26-24-13)17-10-16(22-12-23-17)9-15-3-7-25(8-4-15)11-18-20-5-6-21-18/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 352.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110129353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).