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

C13H16N2O — CID 83887171

IUPAC4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2)c(C(C)C)o1
InChIInChI=1S/C13H16N2O/c1-8(2)13-12(15-9(3)16-13)10-4-6-11(14)7-5-10/h4-8H,14H2,1-3H3
InChIKeyDJZAFBLJPOXOEI-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.36
Rot. Bonds2

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

4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline (PubChem CID 83887171) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
PubChem CID83887171
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2)c(C(C)C)o1
InChIInChI=1S/C13H16N2O/c1-8(2)13-12(15-9(3)16-13)10-4-6-11(14)7-5-10/h4-8H,14H2,1-3H3
InChIKeyDJZAFBLJPOXOEI-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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Related Compounds

4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 105498422
4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832014
4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
CID 90046829
5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
CID 116832000
5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-2-amine
CID 116831978
4-(2,5-dimethyl-1H-imidazol-4-yl)aniline
CID 82048495
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
4-(5-propan-2-ylpyrimidin-4-yl)aniline
CID 83886077
5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
CID 45097413
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
CID 173375065
CID 173375065

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline?
The IUPAC name of 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline (CID 83887171) is 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(N)cc2)c(C(C)C)o1.
What is the InChIKey of 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline?
The InChIKey is DJZAFBLJPOXOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)13-12(15-9(3)16-13)10-4-6-11(14)7-5-10/h4-8H,14H2,1-3H3.
What are the key properties of 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline?
4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-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 4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 83887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).