benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate

C15H14ClN3O3 — CID 58547798

IUPACbenzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(Oc2nccnc2Cl)C1
InChIInChI=1S/C15H14ClN3O3/c16-13-14(18-7-6-17-13)22-12-8-19(9-12)15(20)21-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyXBLAXAGZSJIDKS-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.53
Rot. Bonds4

About benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate

benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate (PubChem CID 58547798) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate
PubChem CID58547798
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Namebenzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(Oc2nccnc2Cl)C1
InChIInChI=1S/C15H14ClN3O3/c16-13-14(18-7-6-17-13)22-12-8-19(9-12)15(20)21-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyXBLAXAGZSJIDKS-UHFFFAOYSA-N
XLogP2.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate;benzyl 3-hydroxyazetidine-1-carboxylate;2,3-dichloropyrazine;2-methylpropan-2-olate
CID 157245301
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
benzyl 3-(trifluoromethylsulfonyloxy)azetidine-1-carboxylate
CID 131847470
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
benzyl 3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
CID 121017645
benzyl (2R,6R)-2,6-bis(iodomethyl)morpholine-4-carboxylate
CID 99564646
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate?
The IUPAC name of benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate (CID 58547798) is benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(Oc2nccnc2Cl)C1.
What is the InChIKey of benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate?
The InChIKey is XBLAXAGZSJIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-13-14(18-7-6-17-13)22-12-8-19(9-12)15(20)21-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2.
What are the key properties of benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate?
benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(3-chloropyrazin-2-yl)oxyazetidine-1-carboxylate is sourced from PubChem (CID 58547798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).