(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C24H21N3O5 — CID 50843852

IUPAC(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4ccc(C)o4)cc3)o2)cc1
InChIInChI=1S/C24H21N3O5/c1-16-3-8-21(31-16)13-14-22(28)25-18-6-11-20(12-7-18)30-15-23-26-27-24(32-23)17-4-9-19(29-2)10-5-17/h3-14H,15H2,1-2H3,(H,25,28)/b14-13+
InChIKeyGAIXDRRZFGVOLD-BUHFOSPRSA-N
MW431.45 g/mol
LogP4.88
Rot. Bonds8

About (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 50843852) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID50843852
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4ccc(C)o4)cc3)o2)cc1
InChIInChI=1S/C24H21N3O5/c1-16-3-8-21(31-16)13-14-22(28)25-18-6-11-20(12-7-18)30-15-23-26-27-24(32-23)17-4-9-19(29-2)10-5-17/h3-14H,15H2,1-2H3,(H,25,28)/b14-13+
InChIKeyGAIXDRRZFGVOLD-BUHFOSPRSA-N
XLogP4.88
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522435
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
(E)-N'-[2-(4-methoxyphenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 6146665
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 95745053
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 50844100
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 35790013

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 50843852) is (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4ccc(C)o4)cc3)o2)cc1.
What is the InChIKey of (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is GAIXDRRZFGVOLD-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-16-3-8-21(31-16)13-14-22(28)25-18-6-11-20(12-7-18)30-15-23-26-27-24(32-23)17-4-9-19(29-2)10-5-17/h3-14H,15H2,1-2H3,(H,25,28)/b14-13+.
What are the key properties of (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 431.45 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 50843852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).