N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide

C14H20N4O2 — CID 139676207

IUPACN-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C14H20N4O2/c1-17(2)8-5-7-15-14(19)11-10-13(20-16-11)12-6-4-9-18(12)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,15,19)
InChIKeyXEWRKUUBNZQYQU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 139676207) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID139676207
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C14H20N4O2/c1-17(2)8-5-7-15-14(19)11-10-13(20-16-11)12-6-4-9-18(12)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,15,19)
InChIKeyXEWRKUUBNZQYQU-UHFFFAOYSA-N
XLogP1.36
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 83283079
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 102468386
[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 139676239
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
5-(furan-2-yl)-N-[2-(N-methylanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24668034
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide (CID 139676207) is N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide is CN(C)CCCNC(=O)c1cc(-c2cccn2C)on1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XEWRKUUBNZQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(2)8-5-7-15-14(19)11-10-13(20-16-11)12-6-4-9-18(12)3/h4,6,9-10H,5,7-8H2,1-3H3,(H,15,19).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).