ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

C17H26N4O5 — CID 155736240

IUPACethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCC.Cc1cc(C(=O)NCC(=O)NC(C=O)C[C@@H]2CCCNC2=O)no1
InChIInChI=1S/C15H20N4O5.C2H6/c1-9-5-12(19-24-9)15(23)17-7-13(21)18-11(8-20)6-10-3-2-4-16-14(10)22;1-2/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,22)(H,17,23)(H,18,21);1-2H3/t10-,11?;/m0./s1
InChIKeySICLGBVQLQLJQV-JMFXEUCVSA-N
MW366.42 g/mol
LogP0.34
Rot. Bonds7

About ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 155736240) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nameethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID155736240
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Nameethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCC.Cc1cc(C(=O)NCC(=O)NC(C=O)C[C@@H]2CCCNC2=O)no1
InChIInChI=1S/C15H20N4O5.C2H6/c1-9-5-12(19-24-9)15(23)17-7-13(21)18-11(8-20)6-10-3-2-4-16-14(10)22;1-2/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,22)(H,17,23)(H,18,21);1-2H3/t10-,11?;/m0./s1
InChIKeySICLGBVQLQLJQV-JMFXEUCVSA-N
XLogP0.34
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 167244133
5-methyl-N-[2-oxo-2-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]ethyl]-1,2-oxazole-3-carboxamide
CID 162739323
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
CID 155736218
N-[(2S)-1-[[(E,2S)-4-cyano-1-[(3S)-2-oxopiperidin-3-yl]but-3-en-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155557855
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
N-[(2S)-1-[[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(E,2S)-1-[(3S)-2-oxopiperidin-3-yl]pent-3-en-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 58593528
(E)-4-[[4-methyl-2-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-naphthalen-1-ylpropanoyl]amino]pentanoyl]amino]-5-(2-oxopiperidin-3-yl)pent-2-enoic acid
CID 155369764
3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
CID 150666174
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 167480952
6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 166691946
4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 167244126
acetaldehyde;N-(3,3-dimethyl-1-oxobutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;ethane;3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one;1-methylpyrrolidine-2-carbaldehyde;propane
CID 176958829

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (CID 155736240) is ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is CC.Cc1cc(C(=O)NCC(=O)NC(C=O)C[C@@H]2CCCNC2=O)no1.
What is the InChIKey of ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SICLGBVQLQLJQV-JMFXEUCVSA-N. The full InChI is InChI=1S/C15H20N4O5.C2H6/c1-9-5-12(19-24-9)15(23)17-7-13(21)18-11(8-20)6-10-3-2-4-16-14(10)22;1-2/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,22)(H,17,23)(H,18,21);1-2H3/t10-,11?;/m0./s1.
What are the key properties of ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155736240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).