4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

C12H18N4O4 — CID 22101616

IUPAC4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC1COC(C(=O)NCCNC(=O)C2=NC(C)CO2)=N1
InChIInChI=1S/C12H18N4O4/c1-7-5-19-11(15-7)9(17)13-3-4-14-10(18)12-16-8(2)6-20-12/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyICEJDSORXLEGGS-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.15
Rot. Bonds5

About 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101616) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101616
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC1COC(C(=O)NCCNC(=O)C2=NC(C)CO2)=N1
InChIInChI=1S/C12H18N4O4/c1-7-5-19-11(15-7)9(17)13-3-4-14-10(18)12-16-8(2)6-20-12/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyICEJDSORXLEGGS-UHFFFAOYSA-N
XLogP-1.15
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523757
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101600
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 22101619
N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101622
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101629
3-[2-(2-Carbamoyl-4-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazol-3-ium-2-carboxamide
CID 57104626
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)
CID 165006664
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 172313744
2-(2-aminoethoxy)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide;molecular hydrogen
CID 172313984
N-[2-(dimethylamino)ethyl]-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 172314084

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101616) is 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is CC1COC(C(=O)NCCNC(=O)C2=NC(C)CO2)=N1.
What is the InChIKey of 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is ICEJDSORXLEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7-5-19-11(15-7)9(17)13-3-4-14-10(18)12-16-8(2)6-20-12/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).