5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

C14H15N3OS — CID 40726725

IUPAC5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCC[C@H](C)Nc1oc(/C=C/c2cccs2)nc1C#N
InChIInChI=1S/C14H15N3OS/c1-3-10(2)16-14-12(9-15)17-13(18-14)7-6-11-5-4-8-19-11/h4-8,10,16H,3H2,1-2H3/b7-6+/t10-/m0/s1
InChIKeyAAZMUTVHNRVBGW-FGEFZZPRSA-N
MW273.36 g/mol
LogP3.99
Rot. Bonds5

About 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 40726725) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID40726725
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCC[C@H](C)Nc1oc(/C=C/c2cccs2)nc1C#N
InChIInChI=1S/C14H15N3OS/c1-3-10(2)16-14-12(9-15)17-13(18-14)7-6-11-5-4-8-19-11/h4-8,10,16H,3H2,1-2H3/b7-6+/t10-/m0/s1
InChIKeyAAZMUTVHNRVBGW-FGEFZZPRSA-N
XLogP3.99
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
5-(3-ethoxypropylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750765
5-(butan-2-ylamino)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200288
5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750753
5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200614
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750728
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200494
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
2-[2-(4-ethoxyphenyl)ethenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4750720

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (CID 40726725) is 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is CC[C@H](C)Nc1oc(/C=C/c2cccs2)nc1C#N.
What is the InChIKey of 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is AAZMUTVHNRVBGW-FGEFZZPRSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-10(2)16-14-12(9-15)17-13(18-14)7-6-11-5-4-8-19-11/h4-8,10,16H,3H2,1-2H3/b7-6+/t10-/m0/s1.
What are the key properties of 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 40726725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).