[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone

C19H26N4O3 — CID 51126970

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c(C)noc1C
InChIInChI=1S/C19H26N4O3/c1-13-16(14(2)26-21-13)12-20-17-11-15(5-6-18(17)25-4)19(24)23-9-7-22(3)8-10-23/h5-6,11,20H,7-10,12H2,1-4H3
InChIKeyKLFJCSFSEDIBAI-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.30
Rot. Bonds5

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 51126970) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID51126970
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c(C)noc1C
InChIInChI=1S/C19H26N4O3/c1-13-16(14(2)26-21-13)12-20-17-11-15(5-6-18(17)25-4)19(24)23-9-7-22(3)8-10-23/h5-6,11,20H,7-10,12H2,1-4H3
InChIKeyKLFJCSFSEDIBAI-UHFFFAOYSA-N
XLogP2.30
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone (CID 51126970) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c(C)noc1C.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KLFJCSFSEDIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-16(14(2)26-21-13)12-20-17-11-15(5-6-18(17)25-4)19(24)23-9-7-22(3)8-10-23/h5-6,11,20H,7-10,12H2,1-4H3.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 51126970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).