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

C12H18N4O4 — CID 22101603

IUPACN-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCN(CCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1
InChIInChI=1S/C12H18N4O4/c1-15(11(17)9-13-3-7-19-9)5-6-16(2)12(18)10-14-4-8-20-10/h3-8H2,1-2H3
InChIKeyMEKXOOOVWYMXDS-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.24
Rot. Bonds5

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

N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101603) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101603
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCN(CCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1
InChIInChI=1S/C12H18N4O4/c1-15(11(17)9-13-3-7-19-9)5-6-16(2)12(18)10-14-4-8-20-10/h3-8H2,1-2H3
InChIKeyMEKXOOOVWYMXDS-UHFFFAOYSA-N
XLogP-1.24
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523824
N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide
CID 20740587
N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101602
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101629
2-methoxy-N-[2-[(2-methoxyacetyl)-methylamino]ethyl]-N-methylacetamide
CID 53769295
3-[2-(2-Carbamoyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-3-ium-2-carboxamide
CID 57017575
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,N'-(Ethane-1,2-diyl)bis(2-ethoxy-N-methylacetamide)
CID 71392068
N-[2-(dimethylamino)ethyl]-2-ethoxy-N-methylacetamide
CID 64591170

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101603) is N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CN(CCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1.
What is the InChIKey of N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is MEKXOOOVWYMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(11(17)9-13-3-7-19-9)5-6-16(2)12(18)10-14-4-8-20-10/h3-8H2,1-2H3.
What are the key properties of N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).