N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine

C14H18N2O — CID 116832613

IUPACN,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(C)c(C)cc2C)c(C)o1
InChIInChI=1S/C14H18N2O/c1-8-6-10(3)12(7-9(8)2)13-11(4)17-14(15-5)16-13/h6-7H,1-5H3,(H,15,16)
InChIKeyJZRKEXXVNKEFQK-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.62
Rot. Bonds2

About N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine

N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine (PubChem CID 116832613) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine
PubChem CID116832613
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(C)c(C)cc2C)c(C)o1
InChIInChI=1S/C14H18N2O/c1-8-6-10(3)12(7-9(8)2)13-11(4)17-14(15-5)16-13/h6-7H,1-5H3,(H,15,16)
InChIKeyJZRKEXXVNKEFQK-UHFFFAOYSA-N
XLogP3.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832630
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832589
4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine
CID 116823472
2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
CID 82475382
N,6-dimethyl-4,5-dihydro-1,3-benzoxazol-2-amine;molecular hydrogen
CID 176929137
4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832501
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
N,3,5,6-tetramethylpyridin-2-amine
CID 18731726
5-methyl-4-(2,3,5,6-tetramethylphenyl)-1,3-oxazol-2-amine
CID 116831805
2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole
CID 102974636

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine (CID 116832613) is N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine is CNc1nc(-c2cc(C)c(C)cc2C)c(C)o1.
What is the InChIKey of N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine?
The InChIKey is JZRKEXXVNKEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-6-10(3)12(7-9(8)2)13-11(4)17-14(15-5)16-13/h6-7H,1-5H3,(H,15,16).
What are the key properties of N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine?
N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).