1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C21H26N4O5 — CID 56534236

IUPAC1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C21H26N4O5/c1-13-17(14(2)30-24-13)12-29-16-7-4-6-15(10-16)20(27)23-11-19(26)25-9-5-8-18(25)21(28)22-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVFPXAYBDROLARF-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56534236) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56534236
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C21H26N4O5/c1-13-17(14(2)30-24-13)12-29-16-7-4-6-15(10-16)20(27)23-11-19(26)25-9-5-8-18(25)21(28)22-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVFPXAYBDROLARF-UHFFFAOYSA-N
XLogP1.34
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3-(2-chlorophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 86935328
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544385
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 135098958
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55484005

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56534236) is 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VFPXAYBDROLARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-13-17(14(2)30-24-13)12-29-16-7-4-6-15(10-16)20(27)23-11-19(26)25-9-5-8-18(25)21(28)22-3/h4,6-7,10,18H,5,8-9,11-12H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56534236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).