5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole

C15H13Cl2N5O — CID 167909465

IUPAC5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(N3CCn4c(nnc4C4CC4)C3)nc2c1
InChIInChI=1S/C15H13Cl2N5O/c16-9-5-10(17)13-11(6-9)18-15(23-13)21-3-4-22-12(7-21)19-20-14(22)8-1-2-8/h5-6,8H,1-4,7H2
InChIKeyVNIGKYXLBLCMRU-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.62
Rot. Bonds2

About 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole

5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole (PubChem CID 167909465) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole
PubChem CID167909465
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(N3CCn4c(nnc4C4CC4)C3)nc2c1
InChIInChI=1S/C15H13Cl2N5O/c16-9-5-10(17)13-11(6-9)18-15(23-13)21-3-4-22-12(7-21)19-20-14(22)8-1-2-8/h5-6,8H,1-4,7H2
InChIKeyVNIGKYXLBLCMRU-UHFFFAOYSA-N
XLogP3.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dichloro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole;phosphane;pentahydrochloride
CID 173248750
1-(5,7-dichloro-1,3-benzoxazol-2-yl)azetidine-3-carboxylic acid
CID 122064411
5,7-dichloro-2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazole bromide
CID 22558215
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
3-cyclopropyl-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95758394
(2S,4S)-1-(5,7-dichloro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978231
3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71932572
5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 107676158
3-[1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826041
5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole
CID 144772504
(1S,6R)-6-(5,7-dichloro-1,3-benzoxazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 107675970
1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 107676305

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole?
The IUPAC name of 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole (CID 167909465) is 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole?
The canonical SMILES for 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole is Clc1cc(Cl)c2oc(N3CCn4c(nnc4C4CC4)C3)nc2c1.
What is the InChIKey of 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole?
The InChIKey is VNIGKYXLBLCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c16-9-5-10(17)13-11(6-9)18-15(23-13)21-3-4-22-12(7-21)19-20-14(22)8-1-2-8/h5-6,8H,1-4,7H2.
What are the key properties of 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole?
5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole has a molecular weight of 350.21 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzoxazole is sourced from PubChem (CID 167909465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).