N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C19H21N3O3 — CID 24667471

IUPACN-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1cc(-c2ccco2)on1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-2-22(15-8-4-3-5-9-15)12-7-11-20-19(23)16-14-18(25-21-16)17-10-6-13-24-17/h3-6,8-10,13-14H,2,7,11-12H2,1H3,(H,20,23)
InChIKeyCNQGQICZBBGFLA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.58
Rot. Bonds8

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

N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24667471) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24667471
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1cc(-c2ccco2)on1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-2-22(15-8-4-3-5-9-15)12-7-11-20-19(23)16-14-18(25-21-16)17-10-6-13-24-17/h3-6,8-10,13-14H,2,7,11-12H2,1H3,(H,20,23)
InChIKeyCNQGQICZBBGFLA-UHFFFAOYSA-N
XLogP3.58
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.58
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

5-(furan-2-yl)-N-[2-(N-methylanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24668034
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111390013
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 110309358
5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 57383747
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 24667471) is N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCN(CCCNC(=O)c1cc(-c2ccco2)on1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is CNQGQICZBBGFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-22(15-8-4-3-5-9-15)12-7-11-20-19(23)16-14-18(25-21-16)17-10-6-13-24-17/h3-6,8-10,13-14H,2,7,11-12H2,1H3,(H,20,23).
What are the key properties of N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24667471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).