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

C21H20ClN7O — CID 25241835

IUPAC5-[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
SMILESCn1c(-c2ccc(N)nc2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C21H20ClN7O/c1-28-20(14-7-8-19(23)24-12-14)25-26-21(28)29-9-3-6-17(29)16-11-18(30-27-16)13-4-2-5-15(22)10-13/h2,4-5,7-8,10-12,17H,3,6,9H2,1H3,(H2,23,24)/t17-/m1/s1
InChIKeyPYSWUXQGNAXKHL-QGZVFWFLSA-N
MW421.89 g/mol
LogP4.11
Rot. Bonds4

About 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

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 (PubChem CID 25241835) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID25241835
Molecular FormulaC21H20ClN7O
Molecular Weight421.89 g/mol
Exact Mass421.14
IUPAC Name5-[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
SMILESCn1c(-c2ccc(N)nc2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C21H20ClN7O/c1-28-20(14-7-8-19(23)24-12-14)25-26-21(28)29-9-3-6-17(29)16-11-18(30-27-16)13-4-2-5-15(22)10-13/h2,4-5,7-8,10-12,17H,3,6,9H2,1H3,(H2,23,24)/t17-/m1/s1
InChIKeyPYSWUXQGNAXKHL-QGZVFWFLSA-N
XLogP4.11
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
CID 59006686
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
4-[4-methyl-5-[(2R)-2-[5-(3-methylphenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 59006672
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893503
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
CID 11785100
tert-butyl (6R,8aS)-6-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 58812248
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 45221148
4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-5-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 100722970
3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline
CID 70311636
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7405108
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998429
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(-c2ccc(N)nc2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 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?
The InChIKey is PYSWUXQGNAXKHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20ClN7O/c1-28-20(14-7-8-19(23)24-12-14)25-26-21(28)29-9-3-6-17(29)16-11-18(30-27-16)13-4-2-5-15(22)10-13/h2,4-5,7-8,10-12,17H,3,6,9H2,1H3,(H2,23,24)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 421.89 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25241835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).