[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C17H23N5O3 — CID 110203036

IUPAC[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1C[C@@H](COC)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C17H23N5O3/c1-3-22-14(6-7-18-22)17(23)21-8-12(10-24-2)13(9-21)16-19-15(20-25-16)11-4-5-11/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyYOFBAIGJPXLTIO-QWHCGFSZSA-N
MW345.40 g/mol
LogP1.67
Rot. Bonds6

About [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 110203036) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID110203036
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1C[C@@H](COC)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C17H23N5O3/c1-3-22-14(6-7-18-22)17(23)21-8-12(10-24-2)13(9-21)16-19-15(20-25-16)11-4-5-11/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyYOFBAIGJPXLTIO-QWHCGFSZSA-N
XLogP1.67
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 110203036) is [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1C[C@@H](COC)[C@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is YOFBAIGJPXLTIO-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-22-14(6-7-18-22)17(23)21-8-12(10-24-2)13(9-21)16-19-15(20-25-16)11-4-5-11/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 110203036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).