[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C22H23N3O2 — CID 92615655

IUPAC[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)o1
InChIInChI=1S/C22H23N3O2/c1-15-21(27-16(2)24-15)22(26)25-12-6-9-20(25)19-11-10-18(14-23-19)13-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,20H,6,9,12-13H2,1-2H3/t20-/m0/s1
InChIKeySPIMCBHEVPYYHV-FQEVSTJZSA-N
MW361.45 g/mol
LogP4.25
Rot. Bonds4

About [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 92615655) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID92615655
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)o1
InChIInChI=1S/C22H23N3O2/c1-15-21(27-16(2)24-15)22(26)25-12-6-9-20(25)19-11-10-18(14-23-19)13-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,20H,6,9,12-13H2,1-2H3/t20-/m0/s1
InChIKeySPIMCBHEVPYYHV-FQEVSTJZSA-N
XLogP4.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 110263963
[(2R)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92615654
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92615648
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92616522
1-[(2R)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-4-(4-fluoro-3-methylphenyl)butan-1-one
CID 124974103
(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263955
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835314
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 92615655) is [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)o1.
What is the InChIKey of [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is SPIMCBHEVPYYHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-21(27-16(2)24-15)22(26)25-12-6-9-20(25)19-11-10-18(14-23-19)13-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,20H,6,9,12-13H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 92615655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).