[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H19N5O2 — CID 87051884

IUPAC[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)[C@H](c3nc(-c4ccccc4)no3)C2)n[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-9-23(18(24)15-8-12(2)20-21-15)10-14(11)17-19-16(22-25-17)13-6-4-3-5-7-13/h3-8,11,14H,9-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyFHYPTMBTTRDRDO-BXUZGUMPSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds3

About [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 87051884) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID87051884
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)[C@H](c3nc(-c4ccccc4)no3)C2)n[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-9-23(18(24)15-8-12(2)20-21-15)10-14(11)17-19-16(22-25-17)13-6-4-3-5-7-13/h3-8,11,14H,9-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyFHYPTMBTTRDRDO-BXUZGUMPSA-N
XLogP2.64
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 87051884) is [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2C[C@@H](C)[C@H](c3nc(-c4ccccc4)no3)C2)n[nH]1.
What is the InChIKey of [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is FHYPTMBTTRDRDO-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-9-23(18(24)15-8-12(2)20-21-15)10-14(11)17-19-16(22-25-17)13-6-4-3-5-7-13/h3-8,11,14H,9-10H2,1-2H3,(H,20,21)/t11-,14-/m1/s1.
What are the key properties of [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 87051884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).