N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

C15H27N3O — CID 62439087

IUPACN-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(CN2CCCCCC2)on1
InChIInChI=1S/C15H27N3O/c1-15(2,3)16-11-13-10-14(19-17-13)12-18-8-6-4-5-7-9-18/h10,16H,4-9,11-12H2,1-3H3
InChIKeyUSJCRMFRFDWASP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds4

About N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62439087) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62439087
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(CN2CCCCCC2)on1
InChIInChI=1S/C15H27N3O/c1-15(2,3)16-11-13-10-14(19-17-13)12-18-8-6-4-5-7-9-18/h10,16H,4-9,11-12H2,1-3H3
InChIKeyUSJCRMFRFDWASP-UHFFFAOYSA-N
XLogP2.94
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[(3-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62439446
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62420768
N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 102968060
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62413499
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62418059
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694
N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905667
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N-[[4-(azocan-1-ylmethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417501

Frequently Asked Questions

What is the IUPAC name of N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 62439087) is N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(CN2CCCCCC2)on1.
What is the InChIKey of N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is USJCRMFRFDWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)16-11-13-10-14(19-17-13)12-18-8-6-4-5-7-9-18/h10,16H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62439087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).