5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride

C19H22ClN3O3 — CID 52943421

IUPAC5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride
SMILESCOc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(N)c1OC.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-22(2)14-7-5-12(6-8-14)18-17(21-11-25-18)13-9-15(20)19(24-4)16(10-13)23-3;/h5-11H,20H2,1-4H3;1H
InChIKeyGKMOVBYROZMEFD-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.10
Rot. Bonds5

About 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride

5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride (PubChem CID 52943421) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride.

Molecular Properties

Compound Name5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride
PubChem CID52943421
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride
SMILESCOc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(N)c1OC.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-22(2)14-7-5-12(6-8-14)18-17(21-11-25-18)13-9-15(20)19(24-4)16(10-13)23-3;/h5-11H,20H2,1-4H3;1H
InChIKeyGKMOVBYROZMEFD-UHFFFAOYSA-N
XLogP4.10
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride?
The IUPAC name of 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride (CID 52943421) is 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride.
What is the SMILES notation for 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride?
The canonical SMILES for 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride is COc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(N)c1OC.Cl.
What is the InChIKey of 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride?
The InChIKey is GKMOVBYROZMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-22(2)14-7-5-12(6-8-14)18-17(21-11-25-18)13-9-15(20)19(24-4)16(10-13)23-3;/h5-11H,20H2,1-4H3;1H.
What are the key properties of 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride?
5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride is sourced from PubChem (CID 52943421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).