2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide

C16H14N4O4 — CID 86823154

IUPAC2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H14N4O4/c1-10-13(5-6-23-10)15(22)17-8-14(21)19-12-4-2-3-11(7-12)16-20-18-9-24-16/h2-7,9H,8H2,1H3,(H,17,22)(H,19,21)
InChIKeyYSFGCJQJEDQUMX-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.01
Rot. Bonds5

About 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide

2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 86823154) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
PubChem CID86823154
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H14N4O4/c1-10-13(5-6-23-10)15(22)17-8-14(21)19-12-4-2-3-11(7-12)16-20-18-9-24-16/h2-7,9H,8H2,1H3,(H,17,22)(H,19,21)
InChIKeyYSFGCJQJEDQUMX-UHFFFAOYSA-N
XLogP2.01
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide
CID 55823124
2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 30823439
1-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 34027065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide (CID 86823154) is 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is YSFGCJQJEDQUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-10-13(5-6-23-10)15(22)17-8-14(21)19-12-4-2-3-11(7-12)16-20-18-9-24-16/h2-7,9H,8H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide?
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 86823154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).