3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C16H22N4O3 — CID 135102923

IUPAC3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCO[C@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C16H22N4O3/c1-10-5-13(22-18-10)6-12-7-20(8-14(12)21-2)9-15-17-16(19-23-15)11-3-4-11/h5,11-12,14H,3-4,6-9H2,1-2H3/t12-,14+/m1/s1
InChIKeySYYYDGCKNUUEJZ-OCCSQVGLSA-N
MW318.38 g/mol
LogP1.93
Rot. Bonds6

About 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 135102923) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID135102923
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCO[C@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C16H22N4O3/c1-10-5-13(22-18-10)6-12-7-20(8-14(12)21-2)9-15-17-16(19-23-15)11-3-4-11/h5,11-12,14H,3-4,6-9H2,1-2H3/t12-,14+/m1/s1
InChIKeySYYYDGCKNUUEJZ-OCCSQVGLSA-N
XLogP1.93
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 134697965
5-[[(3R,4R)-1-[(3-chlorothiophen-2-yl)methyl]-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 135100667
(3S,4R)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135114116
4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 134699583
4-[5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 135116570
4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 134705493
4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 134705193
5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 134698148
(3S,4R)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135101432
2-[2-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 134705658
(3S,4R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134708581
formic acid;5-[[(3R,4R)-4-methoxy-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 154918807

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 135102923) is 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CO[C@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SYYYDGCKNUUEJZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-5-13(22-18-10)6-12-7-20(8-14(12)21-2)9-15-17-16(19-23-15)11-3-4-11/h5,11-12,14H,3-4,6-9H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 135102923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).