N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide

C30H22Cl2N4O3 — CID 71099933

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(-c3cccnc3)oc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C30H22Cl2N4O3/c31-23-13-12-21(16-24(23)32)27-26(36-30(39-27)22-7-4-14-34-17-22)19-8-10-20(11-9-19)29(38)35-25(28(33)37)15-18-5-2-1-3-6-18/h1-14,16-17,25H,15H2,(H2,33,37)(H,35,38)/t25-/m0/s1
InChIKeyBRUNTPHLQVTXHE-VWLOTQADSA-N
MW557.44 g/mol
LogP6.20
Rot. Bonds8

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide (PubChem CID 71099933) has the molecular formula C30H22Cl2N4O3 and a molecular weight of 557.44 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide
PubChem CID71099933
Molecular FormulaC30H22Cl2N4O3
Molecular Weight557.44 g/mol
Exact Mass556.11
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(-c3cccnc3)oc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C30H22Cl2N4O3/c31-23-13-12-21(16-24(23)32)27-26(36-30(39-27)22-7-4-14-34-17-22)19-8-10-20(11-9-19)29(38)35-25(28(33)37)15-18-5-2-1-3-6-18/h1-14,16-17,25H,15H2,(H2,33,37)(H,35,38)/t25-/m0/s1
InChIKeyBRUNTPHLQVTXHE-VWLOTQADSA-N
XLogP6.20
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.44
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide 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

methyl 4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzoate
CID 71099937
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyridine-2-carboxamide
CID 58784847
2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-oxazol-5-yl)ethanol
CID 53493741
N-[(2S)-1-amino-3-(4-benzoylphenyl)-1-oxopropan-2-yl]-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]oxybutanamide
CID 58784655
N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685953
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 153385951
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
CID 54760592
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide (CID 71099933) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(-c3cccnc3)oc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide?
The InChIKey is BRUNTPHLQVTXHE-VWLOTQADSA-N. The full InChI is InChI=1S/C30H22Cl2N4O3/c31-23-13-12-21(16-24(23)32)27-26(36-30(39-27)22-7-4-14-34-17-22)19-8-10-20(11-9-19)29(38)35-25(28(33)37)15-18-5-2-1-3-6-18/h1-14,16-17,25H,15H2,(H2,33,37)(H,35,38)/t25-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide has a molecular weight of 557.44 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide is sourced from PubChem (CID 71099933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).