N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C14H25N3O2 — CID 62973740

IUPACN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCOC(C)C2)on1
InChIInChI=1S/C14H25N3O2/c1-3-5-15-9-13-8-14(19-16-13)11-17-6-4-7-18-12(2)10-17/h8,12,15H,3-7,9-11H2,1-2H3
InChIKeyCFMWZNRQWJTIEY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.78
Rot. Bonds6

About N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62973740) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62973740
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCOC(C)C2)on1
InChIInChI=1S/C14H25N3O2/c1-3-5-15-9-13-8-14(19-16-13)11-17-6-4-7-18-12(2)10-17/h8,12,15H,3-7,9-11H2,1-2H3
InChIKeyCFMWZNRQWJTIEY-UHFFFAOYSA-N
XLogP1.78
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973579
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62974619
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55074985
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55070212
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
2-methyl-N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426057
2-methyl-N-[[5-[(3-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62439446

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62973740) is N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCCOC(C)C2)on1.
What is the InChIKey of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is CFMWZNRQWJTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-15-9-13-8-14(19-16-13)11-17-6-4-7-18-12(2)10-17/h8,12,15H,3-7,9-11H2,1-2H3.
What are the key properties of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62973740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).