1,3-oxazinan-3-yl(pyridin-4-yl)methanone

C10H12N2O2 — CID 110739628

IUPAC1,3-oxazinan-3-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CCCOC1
InChIInChI=1S/C10H12N2O2/c13-10(9-2-4-11-5-3-9)12-6-1-7-14-8-12/h2-5H,1,6-8H2
InChIKeyGVYMJJUUBLLRQA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds1

About 1,3-oxazinan-3-yl(pyridin-4-yl)methanone

1,3-oxazinan-3-yl(pyridin-4-yl)methanone (PubChem CID 110739628) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,3-oxazinan-3-yl(pyridin-4-yl)methanone.

Molecular Properties

Compound Name1,3-oxazinan-3-yl(pyridin-4-yl)methanone
PubChem CID110739628
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1,3-oxazinan-3-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CCCOC1
InChIInChI=1S/C10H12N2O2/c13-10(9-2-4-11-5-3-9)12-6-1-7-14-8-12/h2-5H,1,6-8H2
InChIKeyGVYMJJUUBLLRQA-UHFFFAOYSA-N
XLogP0.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
CID 155998363
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
CID 130522554
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
2-chloro-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 167785609
methyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 84549542
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-3-yl(pyridin-4-yl)methanone?
The IUPAC name of 1,3-oxazinan-3-yl(pyridin-4-yl)methanone (CID 110739628) is 1,3-oxazinan-3-yl(pyridin-4-yl)methanone.
What is the SMILES notation for 1,3-oxazinan-3-yl(pyridin-4-yl)methanone?
The canonical SMILES for 1,3-oxazinan-3-yl(pyridin-4-yl)methanone is O=C(c1ccncc1)N1CCCOC1.
What is the InChIKey of 1,3-oxazinan-3-yl(pyridin-4-yl)methanone?
The InChIKey is GVYMJJUUBLLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(9-2-4-11-5-3-9)12-6-1-7-14-8-12/h2-5H,1,6-8H2.
What are the key properties of 1,3-oxazinan-3-yl(pyridin-4-yl)methanone?
1,3-oxazinan-3-yl(pyridin-4-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-3-yl(pyridin-4-yl)methanone is sourced from PubChem (CID 110739628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).