(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C21H16N4O5 — CID 29470170

IUPAC(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2nc(-c3cccnc3)no2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H16N4O5/c1-13-6-7-14(10-16(13)23-20(26)17-5-3-9-28-17)21(27)29-12-18-24-19(25-30-18)15-4-2-8-22-11-15/h2-11H,12H2,1H3,(H,23,26)
InChIKeyJMQXDOMJRSDKNS-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.64
Rot. Bonds6

About (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 29470170) has the molecular formula C21H16N4O5 and a molecular weight of 404.38 g/mol. Its IUPAC name is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID29470170
Molecular FormulaC21H16N4O5
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2nc(-c3cccnc3)no2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H16N4O5/c1-13-6-7-14(10-16(13)23-20(26)17-5-3-9-28-17)21(27)29-12-18-24-19(25-30-18)15-4-2-8-22-11-15/h2-11H,12H2,1H3,(H,23,26)
InChIKeyJMQXDOMJRSDKNS-UHFFFAOYSA-N
XLogP3.64
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319558
N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 53057012
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 46605884
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 8909683
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
3-pyridin-4-ylpropyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 78772300
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-sulfamoylbenzoate
CID 55499436
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55500404
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
(2-nitrophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9318976

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 29470170) is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCc2nc(-c3cccnc3)no2)cc1NC(=O)c1ccco1.
What is the InChIKey of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is JMQXDOMJRSDKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5/c1-13-6-7-14(10-16(13)23-20(26)17-5-3-9-28-17)21(27)29-12-18-24-19(25-30-18)15-4-2-8-22-11-15/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 404.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 29470170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).