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

C18H24N4O4 — CID 164632414

IUPAC[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2CC[C@H](CCc3noc(C4CC4)n3)C2)noc1C
InChIInChI=1S/C18H24N4O4/c1-11-14(10-24-2)16(21-25-11)18(23)22-8-7-12(9-22)3-6-15-19-17(26-20-15)13-4-5-13/h12-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyFNNGOEVGRWEQKM-LBPRGKRZSA-N
MW360.41 g/mol
LogP2.48
Rot. Bonds7

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

[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (PubChem CID 164632414) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
PubChem CID164632414
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2CC[C@H](CCc3noc(C4CC4)n3)C2)noc1C
InChIInChI=1S/C18H24N4O4/c1-11-14(10-24-2)16(21-25-11)18(23)22-8-7-12(9-22)3-6-15-19-17(26-20-15)13-4-5-13/h12-13H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyFNNGOEVGRWEQKM-LBPRGKRZSA-N
XLogP2.48
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (CID 164632414) is [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is COCc1c(C(=O)N2CC[C@H](CCc3noc(C4CC4)n3)C2)noc1C.
What is the InChIKey of [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The InChIKey is FNNGOEVGRWEQKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-14(10-24-2)16(21-25-11)18(23)22-8-7-12(9-22)3-6-15-19-17(26-20-15)13-4-5-13/h12-13H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 164632414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).