2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone

C14H15N3O4 — CID 97405941

IUPAC2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(CO)N1CCc2onc(COc3cccnc3)c2C1
InChIInChI=1S/C14H15N3O4/c18-8-14(19)17-5-3-13-11(7-17)12(16-21-13)9-20-10-2-1-4-15-6-10/h1-2,4,6,18H,3,5,7-9H2
InChIKeyMVRPKGCESCGVRP-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.53
Rot. Bonds4

About 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone

2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97405941) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97405941
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(CO)N1CCc2onc(COc3cccnc3)c2C1
InChIInChI=1S/C14H15N3O4/c18-8-14(19)17-5-3-13-11(7-17)12(16-21-13)9-20-10-2-1-4-15-6-10/h1-2,4,6,18H,3,5,7-9H2
InChIKeyMVRPKGCESCGVRP-UHFFFAOYSA-N
XLogP0.53
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
(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)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 97410174
(4-fluorophenyl)-[2-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 122186361
1-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yloxyethanone
CID 118007934
[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
N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
CID 165472082
phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
CID 71907384
3-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 71986351
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3-methylphenyl)methanone
CID 97405898

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone (CID 97405941) is 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone is O=C(CO)N1CCc2onc(COc3cccnc3)c2C1.
What is the InChIKey of 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is MVRPKGCESCGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-8-14(19)17-5-3-13-11(7-17)12(16-21-13)9-20-10-2-1-4-15-6-10/h1-2,4,6,18H,3,5,7-9H2.
What are the key properties of 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone?
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 289.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97405941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).