N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

C16H23N5O3 — CID 129330828

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1
InChIInChI=1S/C16H23N5O3/c1-10-18-15(24-20-10)13-6-12(23-3)7-21(13)8-14(22)19-16(2,9-17)11-4-5-11/h11-13H,4-8H2,1-3H3,(H,19,22)/t12-,13-,16+/m1/s1
InChIKeyILJBDRXWKRTWSG-IOASZLSFSA-N
MW333.39 g/mol
LogP0.95
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 129330828) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID129330828
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1
InChIInChI=1S/C16H23N5O3/c1-10-18-15(24-20-10)13-6-12(23-3)7-21(13)8-14(22)19-16(2,9-17)11-4-5-11/h11-13H,4-8H2,1-3H3,(H,19,22)/t12-,13-,16+/m1/s1
InChIKeyILJBDRXWKRTWSG-IOASZLSFSA-N
XLogP0.95
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclobutylmethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128993547
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645
N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128970435
N-benzyl-2-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128997406
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780742

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (CID 129330828) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is CO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ILJBDRXWKRTWSG-IOASZLSFSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-18-15(24-20-10)13-6-12(23-3)7-21(13)8-14(22)19-16(2,9-17)11-4-5-11/h11-13H,4-8H2,1-3H3,(H,19,22)/t12-,13-,16+/m1/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129330828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).