5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile

C17H16N4O2S — CID 121379560

IUPAC5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
SMILESCOc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)s1
InChIInChI=1S/C17H16N4O2S/c1-10-16(11(2)23-21-10)12-6-15(17(22-3)20-8-12)19-9-14-5-4-13(7-18)24-14/h4-6,8,19H,9H2,1-3H3
InChIKeySHFHPIUXGSXFBL-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.91
Rot. Bonds5

About 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile

5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile (PubChem CID 121379560) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
PubChem CID121379560
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
SMILESCOc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)s1
InChIInChI=1S/C17H16N4O2S/c1-10-16(11(2)23-21-10)12-6-15(17(22-3)20-8-12)19-9-14-5-4-13(7-18)24-14/h4-6,8,19H,9H2,1-3H3
InChIKeySHFHPIUXGSXFBL-UHFFFAOYSA-N
XLogP3.91
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile with MolForge

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Related Compounds

4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
CID 121379551
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
5-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophene-2-carbonitrile
CID 115675880
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675721
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250060
5-[(2,4-dimethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675634
5-[(5-tert-butyl-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743418
5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile
CID 90234558
5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 115899681
5-[(4-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250062
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
CID 167223981

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile (CID 121379560) is 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile is COc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
The InChIKey is SHFHPIUXGSXFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-16(11(2)23-21-10)12-6-15(17(22-3)20-8-12)19-9-14-5-4-13(7-18)24-14/h4-6,8,19H,9H2,1-3H3.
What are the key properties of 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile?
5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile has a molecular weight of 340.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 121379560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).