2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide

C16H22N6O4 — CID 136581301

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1noc([C@@H]2CC[C@H](CNC(=O)N3CCCC3c3noc(C)n3)O2)n1
InChIInChI=1S/C16H22N6O4/c1-9-18-15(26-20-9)13-6-5-11(24-13)8-17-16(23)22-7-3-4-12(22)14-19-10(2)25-21-14/h11-13H,3-8H2,1-2H3,(H,17,23)/t11-,12?,13+/m1/s1
InChIKeyRTRVUDHNPTYKEJ-YPHAAILGSA-N
MW362.39 g/mol
LogP1.84
Rot. Bonds4

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 136581301) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID136581301
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1noc([C@@H]2CC[C@H](CNC(=O)N3CCCC3c3noc(C)n3)O2)n1
InChIInChI=1S/C16H22N6O4/c1-9-18-15(26-20-9)13-6-5-11(24-13)8-17-16(23)22-7-3-4-12(22)14-19-10(2)25-21-14/h11-13H,3-8H2,1-2H3,(H,17,23)/t11-,12?,13+/m1/s1
InChIKeyRTRVUDHNPTYKEJ-YPHAAILGSA-N
XLogP1.84
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 71872990
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
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1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide (CID 136581301) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide is Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCCC3c3noc(C)n3)O2)n1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is RTRVUDHNPTYKEJ-YPHAAILGSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-9-18-15(26-20-9)13-6-5-11(24-13)8-17-16(23)22-7-3-4-12(22)14-19-10(2)25-21-14/h11-13H,3-8H2,1-2H3,(H,17,23)/t11-,12?,13+/m1/s1.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136581301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).