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

C16H29N3O2 — CID 63978153

IUPACN-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(Cc2cc(CNCC(C)C)no2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(2)9-17-10-15-8-16(21-18-15)11-19-6-4-14(5-7-19)12-20-3/h8,13-14,17H,4-7,9-12H2,1-3H3
InChIKeySCGIJFDSANANHE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.28
Rot. Bonds8

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

N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63978153) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63978153
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(Cc2cc(CNCC(C)C)no2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(2)9-17-10-15-8-16(21-18-15)11-19-6-4-14(5-7-19)12-20-3/h8,13-14,17H,4-7,9-12H2,1-3H3
InChIKeySCGIJFDSANANHE-UHFFFAOYSA-N
XLogP2.28
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
2-methyl-N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426057
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 64582400
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973579
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55074985
N-[[5-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380346
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62420768

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 63978153) is N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is COCC1CCN(Cc2cc(CNCC(C)C)no2)CC1.
What is the InChIKey of N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SCGIJFDSANANHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(2)9-17-10-15-8-16(21-18-15)11-19-6-4-14(5-7-19)12-20-3/h8,13-14,17H,4-7,9-12H2,1-3H3.
What are the key properties of N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63978153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).