methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate

C15H18N4O5 — CID 136523843

IUPACmethyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate
SMILESCOC(=O)N(C)CCCC(=O)Nc1cccc(-c2noc(=O)[nH]2)c1
InChIInChI=1S/C15H18N4O5/c1-19(15(22)23-2)8-4-7-12(20)16-11-6-3-5-10(9-11)13-17-14(21)24-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyZIRFJZDRADUXJP-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.45
Rot. Bonds6

About methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate

methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate (PubChem CID 136523843) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate
PubChem CID136523843
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Namemethyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate
SMILESCOC(=O)N(C)CCCC(=O)Nc1cccc(-c2noc(=O)[nH]2)c1
InChIInChI=1S/C15H18N4O5/c1-19(15(22)23-2)8-4-7-12(20)16-11-6-3-5-10(9-11)13-17-14(21)24-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyZIRFJZDRADUXJP-UHFFFAOYSA-N
XLogP1.45
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate with MolForge

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Related Compounds

2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831948
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
3-(3,4-dimethylphenyl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-5-pyridin-4-ylphenyl]propanamide
CID 167863210
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide
CID 25029477
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
5-[2-methoxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449543
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate (CID 136523843) is methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate is COC(=O)N(C)CCCC(=O)Nc1cccc(-c2noc(=O)[nH]2)c1.
What is the InChIKey of methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate?
The InChIKey is ZIRFJZDRADUXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-19(15(22)23-2)8-4-7-12(20)16-11-6-3-5-10(9-11)13-17-14(21)24-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate?
methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate has a molecular weight of 334.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-oxo-4-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]butyl]carbamate is sourced from PubChem (CID 136523843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).