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

C14H18BrN5O — CID 126946939

IUPAC2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESBrc1cnn(C2CCN(Cc3cn4c(n3)COCC4)C2)c1
InChIInChI=1S/C14H18BrN5O/c15-11-5-16-20(6-11)13-1-2-18(9-13)7-12-8-19-3-4-21-10-14(19)17-12/h5-6,8,13H,1-4,7,9-10H2
InChIKeyZOTGABGGQBXJGY-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.82
Rot. Bonds3

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

2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 126946939) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID126946939
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESBrc1cnn(C2CCN(Cc3cn4c(n3)COCC4)C2)c1
InChIInChI=1S/C14H18BrN5O/c15-11-5-16-20(6-11)13-1-2-18(9-13)7-12-8-19-3-4-21-10-14(19)17-12/h5-6,8,13H,1-4,7,9-10H2
InChIKeyZOTGABGGQBXJGY-UHFFFAOYSA-N
XLogP1.82
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 126946939) is 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is Brc1cnn(C2CCN(Cc3cn4c(n3)COCC4)C2)c1.
What is the InChIKey of 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is ZOTGABGGQBXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c15-11-5-16-20(6-11)13-1-2-18(9-13)7-12-8-19-3-4-21-10-14(19)17-12/h5-6,8,13H,1-4,7,9-10H2.
What are the key properties of 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 352.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 126946939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).