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

C12H15N3O — CID 115112364

IUPAC3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cc(N)on2)cc1N(C)C
InChIInChI=1S/C12H15N3O/c1-8-4-5-9(6-11(8)15(2)3)10-7-12(13)16-14-10/h4-7H,13H2,1-3H3
InChIKeyVFVHQFSVLSIIRA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.30
Rot. Bonds2

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

3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine (PubChem CID 115112364) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
PubChem CID115112364
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cc(N)on2)cc1N(C)C
InChIInChI=1S/C12H15N3O/c1-8-4-5-9(6-11(8)15(2)3)10-7-12(13)16-14-10/h4-7H,13H2,1-3H3
InChIKeyVFVHQFSVLSIIRA-UHFFFAOYSA-N
XLogP2.30
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
3-[2-(dimethylamino)-5-methylphenyl]-1,2-oxazol-5-amine
CID 117309650
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-N,3-N-dimethyl-1,2-oxazole-3,5-diamine
CID 83863959

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine (CID 115112364) is 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine is Cc1ccc(-c2cc(N)on2)cc1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine?
The InChIKey is VFVHQFSVLSIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-5-9(6-11(8)15(2)3)10-7-12(13)16-14-10/h4-7H,13H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine?
3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115112364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).