N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine

C16H29N3O — CID 115083475

IUPACN-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1coc(CC2CCCN(C(C)C)C2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)19-7-5-6-14(10-19)9-16-18-15(11-20-16)8-13(3)17-4/h11-14,17H,5-10H2,1-4H3
InChIKeyHTYZYUSLCMYEAW-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine

N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115083475) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115083475
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1coc(CC2CCCN(C(C)C)C2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)19-7-5-6-14(10-19)9-16-18-15(11-20-16)8-13(3)17-4/h11-14,17H,5-10H2,1-4H3
InChIKeyHTYZYUSLCMYEAW-UHFFFAOYSA-N
XLogP2.49
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine (CID 115083475) is N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine is CNC(C)Cc1coc(CC2CCCN(C(C)C)C2)n1.
What is the InChIKey of N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is HTYZYUSLCMYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)19-7-5-6-14(10-19)9-16-18-15(11-20-16)8-13(3)17-4/h11-14,17H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115083475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).