N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C15H24N2O3 — CID 56775540

IUPACN-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCOCc1cc(CC2(NC3CCCCC3)COC2)no1
InChIInChI=1S/C15H24N2O3/c1-18-9-14-7-13(17-20-14)8-15(10-19-11-15)16-12-5-3-2-4-6-12/h7,12,16H,2-6,8-11H2,1H3
InChIKeyYVPGEYHHDHFBNZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds6

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

N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775540) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775540
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCOCc1cc(CC2(NC3CCCCC3)COC2)no1
InChIInChI=1S/C15H24N2O3/c1-18-9-14-7-13(17-20-14)8-15(10-19-11-15)16-12-5-3-2-4-6-12/h7,12,16H,2-6,8-11H2,1H3
InChIKeyYVPGEYHHDHFBNZ-UHFFFAOYSA-N
XLogP2.05
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775540) is N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is COCc1cc(CC2(NC3CCCCC3)COC2)no1.
What is the InChIKey of N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is YVPGEYHHDHFBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-9-14-7-13(17-20-14)8-15(10-19-11-15)16-12-5-3-2-4-6-12/h7,12,16H,2-6,8-11H2,1H3.
What are the key properties of N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 280.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).