2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

C18H16N4O2 — CID 1080223

IUPAC2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)cc1
InChIInChI=1S/C18H16N4O2/c1-13-4-6-15(7-5-13)23-12-17-22-16(9-19)18(24-17)21-11-14-3-2-8-20-10-14/h2-8,10,21H,11-12H2,1H3
InChIKeyFBAOHZFGBQZVOO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.44
Rot. Bonds6

About 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 1080223) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID1080223
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)cc1
InChIInChI=1S/C18H16N4O2/c1-13-4-6-15(7-5-13)23-12-17-22-16(9-19)18(24-17)21-11-14-3-2-8-20-10-14/h2-8,10,21H,11-12H2,1H3
InChIKeyFBAOHZFGBQZVOO-UHFFFAOYSA-N
XLogP3.44
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methylphenyl)methylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 829684
2-[(3-chlorophenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 3916194
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 40632224
2-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 50752797
2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 3845513
5-(furan-2-ylmethylamino)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 750998
5-[(2-chlorophenyl)methylamino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080245
5-[[4-(3,4-dimethylphenoxy)phenyl]methylamino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 155943204
5-(ethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 3152479
2-[(4-bromophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 3567596
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 18822744
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 42587526

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 1080223) is 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is FBAOHZFGBQZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-4-6-15(7-5-13)23-12-17-22-16(9-19)18(24-17)21-11-14-3-2-8-20-10-14/h2-8,10,21H,11-12H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 320.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 1080223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).