1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine

C13H22N2O2 — CID 64549358

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine
SMILESCc1cc(COCC2(N)CCCCCC2)on1
InChIInChI=1S/C13H22N2O2/c1-11-8-12(17-15-11)9-16-10-13(14)6-4-2-3-5-7-13/h8H,2-7,9-10,14H2,1H3
InChIKeyBSACDOQXGHCUCX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.55
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine

1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine (PubChem CID 64549358) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine
PubChem CID64549358
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine
SMILESCc1cc(COCC2(N)CCCCCC2)on1
InChIInChI=1S/C13H22N2O2/c1-11-8-12(17-15-11)9-16-10-13(14)6-4-2-3-5-7-13/h8H,2-7,9-10,14H2,1H3
InChIKeyBSACDOQXGHCUCX-UHFFFAOYSA-N
XLogP2.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
1-[(6-methyl-2-pyridinyl)methoxymethyl]cyclopentan-1-amine
CID 79260688
1-[(2-methylquinolin-4-yl)methoxymethyl]cyclopentan-1-amine
CID 79235274
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 105404480
1-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]cycloheptan-1-amine
CID 64549179
1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
CID 64551697
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclopentan-1-amine
CID 64571595
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
CID 64572030
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
CID 62371586
[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
CID 106938264
3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole
CID 71860987

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine (CID 64549358) is 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine is Cc1cc(COCC2(N)CCCCCC2)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is BSACDOQXGHCUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-8-12(17-15-11)9-16-10-13(14)6-4-2-3-5-7-13/h8H,2-7,9-10,14H2,1H3.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine?
1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 64549358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).