[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

C16H22N4O4 — CID 129343509

IUPAC[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2ccoc2C)C[C@H]1O
InChIInChI=1S/C16H22N4O4/c1-4-19(9-15-18-17-11(3)24-15)13-7-20(8-14(13)21)16(22)12-5-6-23-10(12)2/h5-6,13-14,21H,4,7-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyWWQSBTDHBXALNW-UONOGXRCSA-N
MW334.38 g/mol
LogP0.99
Rot. Bonds5

About [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 129343509) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID129343509
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2ccoc2C)C[C@H]1O
InChIInChI=1S/C16H22N4O4/c1-4-19(9-15-18-17-11(3)24-15)13-7-20(8-14(13)21)16(22)12-5-6-23-10(12)2/h5-6,13-14,21H,4,7-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyWWQSBTDHBXALNW-UONOGXRCSA-N
XLogP0.99
TPSA95.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 129343509) is [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2ccoc2C)C[C@H]1O.
What is the InChIKey of [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is WWQSBTDHBXALNW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-4-19(9-15-18-17-11(3)24-15)13-7-20(8-14(13)21)16(22)12-5-6-23-10(12)2/h5-6,13-14,21H,4,7-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 129343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).