4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine

C13H17N3O — CID 115112238

IUPAC4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(N(C)C)c1C
InChIInChI=1S/C13H17N3O/c1-8-5-10(11-7-15-17-13(11)14)6-12(9(8)2)16(3)4/h5-7H,14H2,1-4H3
InChIKeyJSPRANKEMACHFC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds2

About 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine

4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine (PubChem CID 115112238) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
PubChem CID115112238
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(N(C)C)c1C
InChIInChI=1S/C13H17N3O/c1-8-5-10(11-7-15-17-13(11)14)6-12(9(8)2)16(3)4/h5-7H,14H2,1-4H3
InChIKeyJSPRANKEMACHFC-UHFFFAOYSA-N
XLogP2.61
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine
CID 115111604
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117367649
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117372446
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine (CID 115112238) is 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine is Cc1cc(-c2cnoc2N)cc(N(C)C)c1C.
What is the InChIKey of 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The InChIKey is JSPRANKEMACHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-10(11-7-15-17-13(11)14)6-12(9(8)2)16(3)4/h5-7H,14H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115112238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).