N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C14H14N4O3 — CID 71797238

IUPACN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc(-c3ccco3)[nH]2)no1
InChIInChI=1S/C14H14N4O3/c1-9-7-10(18-21-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-20-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyLMIRIXBKZYWQIJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71797238) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71797238
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc(-c3ccco3)[nH]2)no1
InChIInChI=1S/C14H14N4O3/c1-9-7-10(18-21-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-20-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyLMIRIXBKZYWQIJ-UHFFFAOYSA-N
XLogP1.94
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71797238) is N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2ncc(-c3ccco3)[nH]2)no1.
What is the InChIKey of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LMIRIXBKZYWQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-7-10(18-21-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-20-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).