(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C17H25N3O2 — CID 95196963

IUPAC(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESC[C@H](CN1CCCCCC1)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H25N3O2/c1-14(13-20-8-4-2-3-5-9-20)18-12-15-11-17(22-19-15)16-7-6-10-21-16/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3/t14-/m1/s1
InChIKeyVJULVWDTXRXYAO-CQSZACIVSA-N
MW303.41 g/mol
LogP3.29
Rot. Bonds6

About (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine

(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 95196963) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID95196963
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESC[C@H](CN1CCCCCC1)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H25N3O2/c1-14(13-20-8-4-2-3-5-9-20)18-12-15-11-17(22-19-15)16-7-6-10-21-16/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3/t14-/m1/s1
InChIKeyVJULVWDTXRXYAO-CQSZACIVSA-N
XLogP3.29
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
CID 113408576
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112700198
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 63310200
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122571033
6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
CID 65287211

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 95196963) is (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine is C[C@H](CN1CCCCCC1)NCc1cc(-c2ccco2)on1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is VJULVWDTXRXYAO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(13-20-8-4-2-3-5-9-20)18-12-15-11-17(22-19-15)16-7-6-10-21-16/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 95196963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).