[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C19H23N3O3 — CID 110202612

IUPAC[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](COCC3CC3)[C@H](c3ccncc3)C2)on1
InChIInChI=1S/C19H23N3O3/c1-13-8-18(25-21-13)19(23)22-9-16(12-24-11-14-2-3-14)17(10-22)15-4-6-20-7-5-15/h4-8,14,16-17H,2-3,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyGFOHNSNBTLCAQC-IRXDYDNUSA-N
MW341.41 g/mol
LogP2.66
Rot. Bonds6

About [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 110202612) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID110202612
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](COCC3CC3)[C@H](c3ccncc3)C2)on1
InChIInChI=1S/C19H23N3O3/c1-13-8-18(25-21-13)19(23)22-9-16(12-24-11-14-2-3-14)17(10-22)15-4-6-20-7-5-15/h4-8,14,16-17H,2-3,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyGFOHNSNBTLCAQC-IRXDYDNUSA-N
XLogP2.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 110202612) is [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2C[C@@H](COCC3CC3)[C@H](c3ccncc3)C2)on1.
What is the InChIKey of [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is GFOHNSNBTLCAQC-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-8-18(25-21-13)19(23)22-9-16(12-24-11-14-2-3-14)17(10-22)15-4-6-20-7-5-15/h4-8,14,16-17H,2-3,9-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110202612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).