oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C12H17N3O2 — CID 99789755

IUPACoxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCCO1
InChIInChI=1S/C12H17N3O2/c16-12(15-7-3-4-8-17-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14)
InChIKeyGYNLEBDESWMVNX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.46
Rot. Bonds1

About oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 99789755) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Nameoxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID99789755
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameoxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCCO1
InChIInChI=1S/C12H17N3O2/c16-12(15-7-3-4-8-17-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14)
InChIKeyGYNLEBDESWMVNX-UHFFFAOYSA-N
XLogP1.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
N-(3-chlorophenyl)-3-(oxazinane-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 166635916
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134701735
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134712403
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146783417
[3-(cyclopropylmethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136566370
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246

Frequently Asked Questions

What is the IUPAC name of oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 99789755) is oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCCCO1.
What is the InChIKey of oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is GYNLEBDESWMVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(15-7-3-4-8-17-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14).
What are the key properties of oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxazinan-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 99789755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).