1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide

C17H23N5O5 — CID 156611375

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(C)noc2C)CC1c1nc(COC)no1
InChIInChI=1S/C17H23N5O5/c1-9-11(10(2)26-20-9)5-15(23)22-6-12(16(24)18-3)13(7-22)17-19-14(8-25-4)21-27-17/h12-13H,5-8H2,1-4H3,(H,18,24)
InChIKeyUPJWUWKHKAYDSS-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.35
Rot. Bonds6

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 156611375) has the molecular formula C17H23N5O5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID156611375
Molecular FormulaC17H23N5O5
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(C)noc2C)CC1c1nc(COC)no1
InChIInChI=1S/C17H23N5O5/c1-9-11(10(2)26-20-9)5-15(23)22-6-12(16(24)18-3)13(7-22)17-19-14(8-25-4)21-27-17/h12-13H,5-8H2,1-4H3,(H,18,24)
InChIKeyUPJWUWKHKAYDSS-UHFFFAOYSA-N
XLogP0.35
TPSA123.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923274
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 91911139
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923276
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675
(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91911142
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 156611340
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097186
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
CID 91923250
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (CID 156611375) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CN(C(=O)Cc2c(C)noc2C)CC1c1nc(COC)no1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is UPJWUWKHKAYDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5/c1-9-11(10(2)26-20-9)5-15(23)22-6-12(16(24)18-3)13(7-22)17-19-14(8-25-4)21-27-17/h12-13H,5-8H2,1-4H3,(H,18,24).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156611375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).