5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

C26H30N4O3 — CID 93143742

IUPAC5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(C)CC3)no2)c1
InChIInChI=1S/C26H30N4O3/c1-18-9-10-19(2)21(15-18)24-17-22(28-33-24)25(31)27-23(16-20-7-5-4-6-8-20)26(32)30-13-11-29(3)12-14-30/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyQOFNTTJRBIEKSA-QHCPKHFHSA-N
MW446.55 g/mol
LogP3.07
Rot. Bonds6

About 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 93143742) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID93143742
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(C)CC3)no2)c1
InChIInChI=1S/C26H30N4O3/c1-18-9-10-19(2)21(15-18)24-17-22(28-33-24)25(31)27-23(16-20-7-5-4-6-8-20)26(32)30-13-11-29(3)12-14-30/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyQOFNTTJRBIEKSA-QHCPKHFHSA-N
XLogP3.07
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
[(2R)-3-[4-(benzylamino)phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 174220120
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822366
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93140608
N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46524297
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1149397
N-[(2R)-1-(cyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93144025
ethyl (3S)-1-[(2R)-2-[[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3-phenylpropanoyl]piperidine-3-carboxylate
CID 93140691
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 93143742) is 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(C)CC3)no2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QOFNTTJRBIEKSA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-9-10-19(2)21(15-18)24-17-22(28-33-24)25(31)27-23(16-20-7-5-4-6-8-20)26(32)30-13-11-29(3)12-14-30/h4-10,15,17,23H,11-14,16H2,1-3H3,(H,27,31)/t23-/m0/s1.
What are the key properties of 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).