5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C16H27N5O — CID 124624996

IUPAC5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1
InChIInChI=1S/C16H27N5O/c1-19(2)16-17-15(22-18-16)11-20-9-7-14-12(10-20)4-3-8-21(14)13-5-6-13/h12-14H,3-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyWNTDWZZXCYAUBK-OCCSQVGLSA-N
MW305.43 g/mol
LogP1.58
Rot. Bonds4

About 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 124624996) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID124624996
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1
InChIInChI=1S/C16H27N5O/c1-19(2)16-17-15(22-18-16)11-20-9-7-14-12(10-20)4-3-8-21(14)13-5-6-13/h12-14H,3-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyWNTDWZZXCYAUBK-OCCSQVGLSA-N
XLogP1.58
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624885
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421718
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
(4aS,8aS)-6-(2-bromoprop-2-enyl)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 124778520
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 100703946
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199

Frequently Asked Questions

What is the IUPAC name of 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 124624996) is 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1.
What is the InChIKey of 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WNTDWZZXCYAUBK-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)16-17-15(22-18-16)11-20-9-7-14-12(10-20)4-3-8-21(14)13-5-6-13/h12-14H,3-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 305.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 124624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).