4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole

C11H18N2O — CID 83484491

IUPAC4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
SMILESCc1nc(CC2CCCCNC2)co1
InChIInChI=1S/C11H18N2O/c1-9-13-11(8-14-9)6-10-4-2-3-5-12-7-10/h8,10,12H,2-7H2,1H3
InChIKeyLAGMNRAXRVDQCH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.92
Rot. Bonds2

About 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole

4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole (PubChem CID 83484491) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
PubChem CID83484491
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
SMILESCc1nc(CC2CCCCNC2)co1
InChIInChI=1S/C11H18N2O/c1-9-13-11(8-14-9)6-10-4-2-3-5-12-7-10/h8,10,12H,2-7H2,1H3
InChIKeyLAGMNRAXRVDQCH-UHFFFAOYSA-N
XLogP1.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083426
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
CID 104680701
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083440
3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 114282546
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
3-[(5-methylthiophen-3-yl)methyl]azepane
CID 130558865
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole (CID 83484491) is 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole is Cc1nc(CC2CCCCNC2)co1.
What is the InChIKey of 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole?
The InChIKey is LAGMNRAXRVDQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-13-11(8-14-9)6-10-4-2-3-5-12-7-10/h8,10,12H,2-7H2,1H3.
What are the key properties of 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole?
4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole has a molecular weight of 194.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 83484491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).