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

C11H19N3O — CID 106369501

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
SMILESCc1cnc(CNC2CCCNCC2)o1
InChIInChI=1S/C11H19N3O/c1-9-7-14-11(15-9)8-13-10-3-2-5-12-6-4-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyCLWCJJIRNHWSLM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds3

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine (PubChem CID 106369501) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
PubChem CID106369501
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
SMILESCc1cnc(CNC2CCCNCC2)o1
InChIInChI=1S/C11H19N3O/c1-9-7-14-11(15-9)8-13-10-3-2-5-12-6-4-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyCLWCJJIRNHWSLM-UHFFFAOYSA-N
XLogP1.21
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
2-[(cyclopentylamino)methyl]-1,3-oxazol-5-amine
CID 117187878
cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 99790713
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine (CID 106369501) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine is Cc1cnc(CNC2CCCNCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine?
The InChIKey is CLWCJJIRNHWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-7-14-11(15-9)8-13-10-3-2-5-12-6-4-10/h7,10,12-13H,2-6,8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 106369501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).