N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C18H25N5O3 — CID 110117032

IUPACN-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)CCc3c(C)noc3C)C2)[nH]1
InChIInChI=1S/C18H25N5O3/c1-11-16(12(2)26-22-11)4-5-17(25)23-7-6-14(10-23)18-20-9-15(21-18)8-19-13(3)24/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyGVNWSQNJXWSOEZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.60
Rot. Bonds6

About N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 110117032) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID110117032
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)CCc3c(C)noc3C)C2)[nH]1
InChIInChI=1S/C18H25N5O3/c1-11-16(12(2)26-22-11)4-5-17(25)23-7-6-14(10-23)18-20-9-15(21-18)8-19-13(3)24/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyGVNWSQNJXWSOEZ-UHFFFAOYSA-N
XLogP1.60
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125023356
N-[[2-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124977533
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117016
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209406
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124891839
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 110117032) is N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C2CCN(C(=O)CCc3c(C)noc3C)C2)[nH]1.
What is the InChIKey of N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is GVNWSQNJXWSOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11-16(12(2)26-22-11)4-5-17(25)23-7-6-14(10-23)18-20-9-15(21-18)8-19-13(3)24/h9,14H,4-8,10H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 110117032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).