3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C17H25N5O2 — CID 110203042

IUPAC3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOC[C@@H]1CN(Cc2cnn(C)c2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C17H25N5O2/c1-11-13(6-18-21(11)2)7-22-8-14(10-23-3)15(9-22)17-19-16(20-24-17)12-4-5-12/h6,12,14-15H,4-5,7-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyBURFNSUXERFFBE-LSDHHAIUSA-N
MW331.42 g/mol
LogP1.85
Rot. Bonds6

About 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 110203042) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID110203042
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOC[C@@H]1CN(Cc2cnn(C)c2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C17H25N5O2/c1-11-13(6-18-21(11)2)7-22-8-14(10-23-3)15(9-22)17-19-16(20-24-17)12-4-5-12/h6,12,14-15H,4-5,7-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyBURFNSUXERFFBE-LSDHHAIUSA-N
XLogP1.85
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 110203042) is 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is COC[C@@H]1CN(Cc2cnn(C)c2C)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is BURFNSUXERFFBE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-13(6-18-21(11)2)7-22-8-14(10-23-3)15(9-22)17-19-16(20-24-17)12-4-5-12/h6,12,14-15H,4-5,7-10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(3S,4S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110203042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).