1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C19H21N5O3 — CID 126442291

IUPAC1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc([C@@H]2CCCN2C(=O)CCCc2nc(-c3cccnc3)no2)no1
InChIInChI=1S/C19H21N5O3/c1-13-11-15(22-26-13)16-6-4-10-24(16)18(25)8-2-7-17-21-19(23-27-17)14-5-3-9-20-12-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3/t16-/m0/s1
InChIKeyAOBMXPZKNPVLML-INIZCTEOSA-N
MW367.41 g/mol
LogP3.11
Rot. Bonds6

About 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 126442291) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID126442291
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc([C@@H]2CCCN2C(=O)CCCc2nc(-c3cccnc3)no2)no1
InChIInChI=1S/C19H21N5O3/c1-13-11-15(22-26-13)16-6-4-10-24(16)18(25)8-2-7-17-21-19(23-27-17)14-5-3-9-20-12-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3/t16-/m0/s1
InChIKeyAOBMXPZKNPVLML-INIZCTEOSA-N
XLogP3.11
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 94112164
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 126426649
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47027058
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 72923805
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092103
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126425604
1-[3-(diethylamino)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 118781507
1-[(3S)-3-benzylpiperidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 92574520
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
CID 118779738

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 126442291) is 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1cc([C@@H]2CCCN2C(=O)CCCc2nc(-c3cccnc3)no2)no1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is AOBMXPZKNPVLML-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-11-15(22-26-13)16-6-4-10-24(16)18(25)8-2-7-17-21-19(23-27-17)14-5-3-9-20-12-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 367.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 126442291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).