N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

C16H25N3O2 — CID 62446726

IUPACN-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CN1CCOC2CCCCC21
InChIInChI=1S/C16H25N3O2/c1-2-4-16-15(3-1)19(7-8-20-16)11-14-9-13(18-21-14)10-17-12-5-6-12/h9,12,15-17H,1-8,10-11H2
InChIKeyNXTFASUDSOAMTC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds5

About N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62446726) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62446726
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CN1CCOC2CCCCC21
InChIInChI=1S/C16H25N3O2/c1-2-4-16-15(3-1)19(7-8-20-16)11-14-9-13(18-21-14)10-17-12-5-6-12/h9,12,15-17H,1-8,10-11H2
InChIKeyNXTFASUDSOAMTC-UHFFFAOYSA-N
XLogP2.07
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 79915668
N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 66384572
N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072238
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62446909
[(4aS,6R)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 154567630
1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421
[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine
CID 55072059
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62446726) is N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is c1c(CNC2CC2)noc1CN1CCOC2CCCCC21.
What is the InChIKey of N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is NXTFASUDSOAMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-4-16-15(3-1)19(7-8-20-16)11-14-9-13(18-21-14)10-17-12-5-6-12/h9,12,15-17H,1-8,10-11H2.
What are the key properties of N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62446726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).