N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine

C14H25N3O — CID 115085620

IUPACN-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(C2CCCN(C(C)C)C2)o1
InChIInChI=1S/C14H25N3O/c1-11(2)17-8-4-5-12(10-17)14-16-9-13(18-14)6-7-15-3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXBIFARSUCGLVRU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine

N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085620) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085620
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(C2CCCN(C(C)C)C2)o1
InChIInChI=1S/C14H25N3O/c1-11(2)17-8-4-5-12(10-17)14-16-9-13(18-14)6-7-15-3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXBIFARSUCGLVRU-UHFFFAOYSA-N
XLogP2.02
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115085597
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085018
N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090126
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-5-yl]propan-2-amine
CID 115086399
N-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089980
2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085641
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
N-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 124964857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine (CID 115085620) is N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine is CNCCc1cnc(C2CCCN(C(C)C)C2)o1.
What is the InChIKey of N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is XBIFARSUCGLVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-8-4-5-12(10-17)14-16-9-13(18-14)6-7-15-3/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).