2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C13H17N5O — CID 126900260

IUPAC2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1cnn(C2CN(Cc3cn4c(n3)COCC4)C2)c1
InChIInChI=1S/C13H17N5O/c1-2-14-18(3-1)12-8-16(9-12)6-11-7-17-4-5-19-10-13(17)15-11/h1-3,7,12H,4-6,8-10H2
InChIKeyLUXUWFCXAGFOIH-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds3

About 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 126900260) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID126900260
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1cnn(C2CN(Cc3cn4c(n3)COCC4)C2)c1
InChIInChI=1S/C13H17N5O/c1-2-14-18(3-1)12-8-16(9-12)6-11-7-17-4-5-19-10-13(17)15-11/h1-3,7,12H,4-6,8-10H2
InChIKeyLUXUWFCXAGFOIH-UHFFFAOYSA-N
XLogP0.67
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethanamine
CID 82416862
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887700
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126900257
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol
CID 126900426
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 126900260) is 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is c1cnn(C2CN(Cc3cn4c(n3)COCC4)C2)c1.
What is the InChIKey of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is LUXUWFCXAGFOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-14-18(3-1)12-8-16(9-12)6-11-7-17-4-5-19-10-13(17)15-11/h1-3,7,12H,4-6,8-10H2.
What are the key properties of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 259.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 126900260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).