3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C15H18N6O — CID 97405674

IUPAC3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2onc(Cn3ccnc3)c2C1
InChIInChI=1S/C15H18N6O/c1-19-6-4-17-15(19)10-20-5-2-14-12(8-20)13(18-22-14)9-21-7-3-16-11-21/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyWQWFGABPEDTFHS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.21
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405674) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405674
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2onc(Cn3ccnc3)c2C1
InChIInChI=1S/C15H18N6O/c1-19-6-4-17-15(19)10-20-5-2-14-12(8-20)13(18-22-14)9-21-7-3-16-11-21/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyWQWFGABPEDTFHS-UHFFFAOYSA-N
XLogP1.21
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239748
[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 97410174
N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine
CID 97405638
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461839
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171533329
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56884871
2-methyl-6-[(1-methylimidazol-2-yl)methyl]-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine
CID 146039988
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97405694

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405674) is 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cn1ccnc1CN1CCc2onc(Cn3ccnc3)c2C1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is WQWFGABPEDTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-19-6-4-17-15(19)10-20-5-2-14-12(8-20)13(18-22-14)9-21-7-3-16-11-21/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 298.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).