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

C16H15N5O2 — CID 97410174

IUPAC[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2onc(Cn3ccnc3)c2C1
InChIInChI=1S/C16H15N5O2/c22-16(12-2-1-4-17-8-12)21-6-3-15-13(9-21)14(19-23-15)10-20-7-5-18-11-20/h1-2,4-5,7-8,11H,3,6,9-10H2
InChIKeyYKODZIZYMUZOFQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.51
Rot. Bonds3

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

[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (PubChem CID 97410174) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
PubChem CID97410174
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2onc(Cn3ccnc3)c2C1
InChIInChI=1S/C16H15N5O2/c22-16(12-2-1-4-17-8-12)21-6-3-15-13(9-21)14(19-23-15)10-20-7-5-18-11-20/h1-2,4-5,7-8,11H,3,6,9-10H2
InChIKeyYKODZIZYMUZOFQ-UHFFFAOYSA-N
XLogP1.51
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741
pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405645
(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 97405941
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97413637
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
(E)-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 155873264
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
CID 97405315

Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (CID 97410174) is [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2onc(Cn3ccnc3)c2C1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is YKODZIZYMUZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(12-2-1-4-17-8-12)21-6-3-15-13(9-21)14(19-23-15)10-20-7-5-18-11-20/h1-2,4-5,7-8,11H,3,6,9-10H2.
What are the key properties of [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone has a molecular weight of 309.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97410174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).