5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

C17H19N3O2 — CID 6200288

IUPAC5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCCC(C)Nc1oc(/C=C/c2ccccc2OC)nc1C#N
InChIInChI=1S/C17H19N3O2/c1-4-12(2)19-17-14(11-18)20-16(22-17)10-9-13-7-5-6-8-15(13)21-3/h5-10,12,19H,4H2,1-3H3/b10-9+
InChIKeyUMMHCPIUCNJYKZ-MDZDMXLPSA-N
MW297.36 g/mol
LogP3.94
Rot. Bonds6

About 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6200288) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID6200288
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCCC(C)Nc1oc(/C=C/c2ccccc2OC)nc1C#N
InChIInChI=1S/C17H19N3O2/c1-4-12(2)19-17-14(11-18)20-16(22-17)10-9-13-7-5-6-8-15(13)21-3/h5-10,12,19H,4H2,1-3H3/b10-9+
InChIKeyUMMHCPIUCNJYKZ-MDZDMXLPSA-N
XLogP3.94
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)propylamino]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200309
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 40726725
5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
2-[2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4750462
2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 6200318
5-(4-butanoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647423
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647389
2-[2-(4-ethoxyphenyl)ethenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4750720
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(2-methylpropylamino)-1,3-oxazole-4-carbonitrile
CID 4750529
5-(2-methylpropylamino)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 4752911
5-(ethylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200321
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 6200288) is 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is CCC(C)Nc1oc(/C=C/c2ccccc2OC)nc1C#N.
What is the InChIKey of 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is UMMHCPIUCNJYKZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-12(2)19-17-14(11-18)20-16(22-17)10-9-13-7-5-6-8-15(13)21-3/h5-10,12,19H,4H2,1-3H3/b10-9+.
What are the key properties of 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).