2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

C15H17N3O — CID 18822696

IUPAC2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N
InChIInChI=1S/C15H17N3O/c1-15(2,3)11-7-5-10(6-8-11)13-18-12(9-16)14(17-4)19-13/h5-8,17H,1-4H3
InChIKeyUEUYKTCZWAPETK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.55
Rot. Bonds2

About 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 18822696) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID18822696
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N
InChIInChI=1S/C15H17N3O/c1-15(2,3)11-7-5-10(6-8-11)13-18-12(9-16)14(17-4)19-13/h5-8,17H,1-4H3
InChIKeyUEUYKTCZWAPETK-UHFFFAOYSA-N
XLogP3.55
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 18822696) is 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is UEUYKTCZWAPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)11-7-5-10(6-8-11)13-18-12(9-16)14(17-4)19-13/h5-8,17H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).