N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

C18H24N4O4 — CID 110085995

IUPACN,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C
InChIInChI=1S/C18H24N4O4/c1-12-4-5-15-13(10-12)22(18(25)26-15)7-6-16(23)21-9-8-20(3)14(11-21)17(24)19-2/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyQOHCCZYKXJXLJG-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.18
Rot. Bonds4

About N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 110085995) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
PubChem CID110085995
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C
InChIInChI=1S/C18H24N4O4/c1-12-4-5-15-13(10-12)22(18(25)26-15)7-6-16(23)21-9-8-20(3)14(11-21)17(24)19-2/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyQOHCCZYKXJXLJG-UHFFFAOYSA-N
XLogP0.18
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085996
(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 125023614
5-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50954745
3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 56887047
3-[3-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 95221485
4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086268
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
CID 131915591
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
(2S)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124944223
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 91761600

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (CID 110085995) is N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C.
What is the InChIKey of N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is QOHCCZYKXJXLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-4-5-15-13(10-12)22(18(25)26-15)7-6-16(23)21-9-8-20(3)14(11-21)17(24)19-2/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,24).
What are the key properties of N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110085995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).