3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine

C14H23ClN4O — CID 114657291

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H23ClN4O/c1-2-5-19-14(11(15)7-17-19)13(16)12-8-18-6-3-4-10(18)9-20-12/h7,10,12-13H,2-6,8-9,16H2,1H3
InChIKeyCTSKTAYQZZZRTA-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.81
Rot. Bonds4

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine (PubChem CID 114657291) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
PubChem CID114657291
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H23ClN4O/c1-2-5-19-14(11(15)7-17-19)13(16)12-8-18-6-3-4-10(18)9-20-12/h7,10,12-13H,2-6,8-9,16H2,1H3
InChIKeyCTSKTAYQZZZRTA-UHFFFAOYSA-N
XLogP1.81
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine with MolForge

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Related Compounds

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105245060
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105245184
(1S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propan-1-amine
CID 104932294
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 79088399
(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 114651447
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 79089404
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)decan-1-amine
CID 79088301
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 79088876

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine (CID 114657291) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(Cl)c1C(N)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The InChIKey is CTSKTAYQZZZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-2-5-19-14(11(15)7-17-19)13(16)12-8-18-6-3-4-10(18)9-20-12/h7,10,12-13H,2-6,8-9,16H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine has a molecular weight of 298.82 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114657291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).