5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C21H24N4O3 — CID 46997339

IUPAC5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2nc(-c3ccccc3)no2)cc1CN1CCCC1
InChIInChI=1S/C21H24N4O3/c1-2-17-16(14-25-10-6-7-11-25)12-18(27-17)21(26)22-13-19-23-20(24-28-19)15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,22,26)
InChIKeyANIXDBBGDXRGBN-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.42
Rot. Bonds7

About 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 46997339) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID46997339
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2nc(-c3ccccc3)no2)cc1CN1CCCC1
InChIInChI=1S/C21H24N4O3/c1-2-17-16(14-25-10-6-7-11-25)12-18(27-17)21(26)22-13-19-23-20(24-28-19)15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,22,26)
InChIKeyANIXDBBGDXRGBN-UHFFFAOYSA-N
XLogP3.42
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 53278503
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
1-[(4-methylphenyl)methyl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53278515
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-[(2-ethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115627

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 46997339) is 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)NCc2nc(-c3ccccc3)no2)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ANIXDBBGDXRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-17-16(14-25-10-6-7-11-25)12-18(27-17)21(26)22-13-19-23-20(24-28-19)15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,22,26).
What are the key properties of 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 46997339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).