5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine

C24H24N4O2 — CID 143926835

IUPAC5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1/C=C/C1=CCCC=C1
InChIInChI=1S/C24H24N4O2/c1-2-29-24-20(13-8-17-6-4-3-5-7-17)21(25)14-23(28-24)27-19-11-9-18(10-12-19)22-15-26-16-30-22/h4,6-16H,2-3,5H2,1H3,(H3,25,27,28)/b13-8+
InChIKeyXDKSEZOCDDRIHH-MDWZMJQESA-N
MW400.48 g/mol
LogP5.75
Rot. Bonds7

About 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine

5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine (PubChem CID 143926835) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine
PubChem CID143926835
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1/C=C/C1=CCCC=C1
InChIInChI=1S/C24H24N4O2/c1-2-29-24-20(13-8-17-6-4-3-5-7-17)21(25)14-23(28-24)27-19-11-9-18(10-12-19)22-15-26-16-30-22/h4,6-16H,2-3,5H2,1H3,(H3,25,27,28)/b13-8+
InChIKeyXDKSEZOCDDRIHH-MDWZMJQESA-N
XLogP5.75
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 66548458
N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329846
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46866591
N-[2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]phenyl]-N-methyl-3-morpholino-propanamide
CID 497791
N-[4-[(4-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 1262407
N''''-cyano-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N''-phenylguanidine
CID 9949504
1-[3-Methoxy-4-(5-oxazolyl)phenyl]-2-cyano-3-(3-pyridyl)guanidine
CID 10131741

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine (CID 143926835) is 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine is CCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1/C=C/C1=CCCC=C1.
What is the InChIKey of 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine?
The InChIKey is XDKSEZOCDDRIHH-MDWZMJQESA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-29-24-20(13-8-17-6-4-3-5-7-17)21(25)14-23(28-24)27-19-11-9-18(10-12-19)22-15-26-16-30-22/h4,6-16H,2-3,5H2,1H3,(H3,25,27,28)/b13-8+.
What are the key properties of 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine?
5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-6-ethoxy-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 143926835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).