2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole

C14H23N3O — CID 103895043

IUPAC2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCN3CCCCC3C2)o1
InChIInChI=1S/C14H23N3O/c1-11-9-15-14(18-11)12(2)17-8-7-16-6-4-3-5-13(16)10-17/h9,12-13H,3-8,10H2,1-2H3
InChIKeyMPZYTDOPJWJISW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.21
Rot. Bonds2

About 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole

2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole (PubChem CID 103895043) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
PubChem CID103895043
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCN3CCCCC3C2)o1
InChIInChI=1S/C14H23N3O/c1-11-9-15-14(18-11)12(2)17-8-7-16-6-4-3-5-13(16)10-17/h9,12-13H,3-8,10H2,1-2H3
InChIKeyMPZYTDOPJWJISW-UHFFFAOYSA-N
XLogP2.21
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 128906229
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 103895042
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929608
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propylpiperidin-3-amine
CID 114182566
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147
(3aR,7aS)-1-methyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 136581874
N-[5-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 136521649
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
CID 106389948
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 106389972

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole (CID 103895043) is 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole is Cc1cnc(C(C)N2CCN3CCCCC3C2)o1.
What is the InChIKey of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole?
The InChIKey is MPZYTDOPJWJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-15-14(18-11)12(2)17-8-7-16-6-4-3-5-13(16)10-17/h9,12-13H,3-8,10H2,1-2H3.
What are the key properties of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole?
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole has a molecular weight of 249.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 103895043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).