2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole

C19H18N6O — CID 71550371

IUPAC2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole
SMILESCc1nc(-c2ncco2)cc(N2CC(c3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C19H18N6O/c1-12-21-15(19-20-7-8-26-19)9-17(22-12)25-10-13(11-25)18-23-14-5-3-4-6-16(14)24(18)2/h3-9,13H,10-11H2,1-2H3
InChIKeyLCDGMQIOAGBZHM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.93
Rot. Bonds3

About 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole

2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole (PubChem CID 71550371) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole
PubChem CID71550371
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole
SMILESCc1nc(-c2ncco2)cc(N2CC(c3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C19H18N6O/c1-12-21-15(19-20-7-8-26-19)9-17(22-12)25-10-13(11-25)18-23-14-5-3-4-6-16(14)24(18)2/h3-9,13H,10-11H2,1-2H3
InChIKeyLCDGMQIOAGBZHM-UHFFFAOYSA-N
XLogP2.93
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole (CID 71550371) is 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole is Cc1nc(-c2ncco2)cc(N2CC(c3nc4ccccc4n3C)C2)n1.
What is the InChIKey of 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole?
The InChIKey is LCDGMQIOAGBZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-21-15(19-20-7-8-26-19)9-17(22-12)25-10-13(11-25)18-23-14-5-3-4-6-16(14)24(18)2/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole?
2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole has a molecular weight of 346.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 71550371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).