2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline

C13H16N2O — CID 64865344

IUPAC2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline
SMILESCc1cc(-c2ncc(C(C)C)o2)ccc1N
InChIInChI=1S/C13H16N2O/c1-8(2)12-7-15-13(16-12)10-4-5-11(14)9(3)6-10/h4-8H,14H2,1-3H3
InChIKeyPVQCPUCPFJJXGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.36
Rot. Bonds2

About 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline

2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline (PubChem CID 64865344) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline
PubChem CID64865344
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline
SMILESCc1cc(-c2ncc(C(C)C)o2)ccc1N
InChIInChI=1S/C13H16N2O/c1-8(2)12-7-15-13(16-12)10-4-5-11(14)9(3)6-10/h4-8H,14H2,1-3H3
InChIKeyPVQCPUCPFJJXGZ-UHFFFAOYSA-N
XLogP3.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline (CID 64865344) is 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline is Cc1cc(-c2ncc(C(C)C)o2)ccc1N.
What is the InChIKey of 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline?
The InChIKey is PVQCPUCPFJJXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)12-7-15-13(16-12)10-4-5-11(14)9(3)6-10/h4-8H,14H2,1-3H3.
What are the key properties of 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline?
2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline has a molecular weight of 216.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-propan-2-yl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 64865344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).