4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile

C19H19N5O — CID 163507989

IUPAC4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile
SMILESCc1cc(-c2cnc(NCc3ccc(C#N)cc3)nc2C(C)C)on1
InChIInChI=1S/C19H19N5O/c1-12(2)18-16(17-8-13(3)24-25-17)11-22-19(23-18)21-10-15-6-4-14(9-20)5-7-15/h4-8,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyDAEPYYBEEAYHFA-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.05
Rot. Bonds5

About 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile

4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile (PubChem CID 163507989) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile
PubChem CID163507989
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile
SMILESCc1cc(-c2cnc(NCc3ccc(C#N)cc3)nc2C(C)C)on1
InChIInChI=1S/C19H19N5O/c1-12(2)18-16(17-8-13(3)24-25-17)11-22-19(23-18)21-10-15-6-4-14(9-20)5-7-15/h4-8,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyDAEPYYBEEAYHFA-UHFFFAOYSA-N
XLogP4.05
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 167025416
4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
CID 95801289
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 113278299
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92554353

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile (CID 163507989) is 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile is Cc1cc(-c2cnc(NCc3ccc(C#N)cc3)nc2C(C)C)on1.
What is the InChIKey of 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile?
The InChIKey is DAEPYYBEEAYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12(2)18-16(17-8-13(3)24-25-17)11-22-19(23-18)21-10-15-6-4-14(9-20)5-7-15/h4-8,11-12H,10H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile?
4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 163507989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).