5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole

C21H19ClN6O2 — CID 24878175

IUPAC5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole
SMILESCOc1cc(-c2nnc3n2CCCN3Cc2cc(-c3cccc(Cl)c3)on2)ccn1
InChIInChI=1S/C21H19ClN6O2/c1-29-19-11-15(6-7-23-19)20-24-25-21-27(8-3-9-28(20)21)13-17-12-18(30-26-17)14-4-2-5-16(22)10-14/h2,4-7,10-12H,3,8-9,13H2,1H3
InChIKeySYVHOBMIRBOOBN-UHFFFAOYSA-N
MW422.88 g/mol
LogP4.07
Rot. Bonds5

About 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole

5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole (PubChem CID 24878175) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole
PubChem CID24878175
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole
SMILESCOc1cc(-c2nnc3n2CCCN3Cc2cc(-c3cccc(Cl)c3)on2)ccn1
InChIInChI=1S/C21H19ClN6O2/c1-29-19-11-15(6-7-23-19)20-24-25-21-27(8-3-9-28(20)21)13-17-12-18(30-26-17)14-4-2-5-16(22)10-14/h2,4-7,10-12H,3,8-9,13H2,1H3
InChIKeySYVHOBMIRBOOBN-UHFFFAOYSA-N
XLogP4.07
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

5-(3-chlorophenyl)-3-[(3-pyrimidin-5-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methyl]-1,2,4-oxadiazole
CID 25030920
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine
CID 11293514
5-(3-chlorophenyl)-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxymethyl]-1,2-oxazole
CID 67070701
8-[[2-(3-chlorophenyl)tetrazol-5-yl]methyl]-3-pyridin-3-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 25030834
5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 167763884
N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 167877940
5-(3-methylphenyl)-3-(methylsulfanyloxymethyl)-1,2-oxazole
CID 143797490
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole
CID 167851791
5-[5-[(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 25241835
2-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78862988

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole (CID 24878175) is 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole is COc1cc(-c2nnc3n2CCCN3Cc2cc(-c3cccc(Cl)c3)on2)ccn1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole?
The InChIKey is SYVHOBMIRBOOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-29-19-11-15(6-7-23-19)20-24-25-21-27(8-3-9-28(20)21)13-17-12-18(30-26-17)14-4-2-5-16(22)10-14/h2,4-7,10-12H,3,8-9,13H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole?
5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole has a molecular weight of 422.88 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 24878175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).