ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide

C15H18N4O3 — CID 166135908

IUPACethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC.O=C(NCCn1ccnc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H12N4O3.C2H6/c18-13(15-4-6-17-5-3-14-9-17)10-8-12(20-16-10)11-2-1-7-19-11;1-2/h1-3,5,7-9H,4,6H2,(H,15,18);1-2H3
InChIKeyKBMNVDXAKCNNJR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.59
Rot. Bonds5

About ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide

ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 166135908) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nameethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID166135908
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC.O=C(NCCn1ccnc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H12N4O3.C2H6/c18-13(15-4-6-17-5-3-14-9-17)10-8-12(20-16-10)11-2-1-7-19-11;1-2/h1-3,5,7-9H,4,6H2,(H,15,18);1-2H3
InChIKeyKBMNVDXAKCNNJR-UHFFFAOYSA-N
XLogP2.59
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
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5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
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CID 90541394
5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
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5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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CID 110307679
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 166135908) is ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide is CC.O=C(NCCn1ccnc1)c1cc(-c2ccco2)on1.
What is the InChIKey of ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KBMNVDXAKCNNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3.C2H6/c18-13(15-4-6-17-5-3-14-9-17)10-8-12(20-16-10)11-2-1-7-19-11;1-2/h1-3,5,7-9H,4,6H2,(H,15,18);1-2H3.
What are the key properties of ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166135908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).