2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide

C29H25ClN8O5 — CID 169324067

IUPAC2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide
SMILESO=C(Nc1ccc(N2CCOC2=O)cc1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C29H25ClN8O5/c30-20-6-11-23(38-18-31-33-34-38)24(15-20)36-16-27(40)37(17-26(36)39)25(14-19-4-2-1-3-5-19)28(41)32-21-7-9-22(10-8-21)35-12-13-43-29(35)42/h1-11,15,18,25H,12-14,16-17H2,(H,32,41)
InChIKeyKUGPAKOCCVGHMU-UHFFFAOYSA-N
MW601.02 g/mol
LogP2.70
Rot. Bonds8

About 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide (PubChem CID 169324067) has the molecular formula C29H25ClN8O5 and a molecular weight of 601.02 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide
PubChem CID169324067
Molecular FormulaC29H25ClN8O5
Molecular Weight601.02 g/mol
Exact Mass600.16
IUPAC Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide
SMILESO=C(Nc1ccc(N2CCOC2=O)cc1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C29H25ClN8O5/c30-20-6-11-23(38-18-31-33-34-38)24(15-20)36-16-27(40)37(17-26(36)39)25(14-19-4-2-1-3-5-19)28(41)32-21-7-9-22(10-8-21)35-12-13-43-29(35)42/h1-11,15,18,25H,12-14,16-17H2,(H,32,41)
InChIKeyKUGPAKOCCVGHMU-UHFFFAOYSA-N
XLogP2.70
TPSA142.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.02
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 169323951
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide
CID 169324043
N-[3-amino-4-(methyliminomethyl)phenyl]-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 170057215
1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 170057070
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-phenylpropanamide
CID 175282071
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[4-(2-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]propanoic acid
CID 156741990
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[4-[4-(4-methoxycyclohexyl)-2-oxopiperazin-1-yl]phenyl]propanoic acid
CID 164957598
tert-butyl 3-chloro-5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylate
CID 175282124
5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-(4-nitrophenyl)propanoyl]amino]-1-benzofuran-2-carboxylic acid
CID 175377043
phenyl N-[4-[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropyl]phenyl]carbamate
CID 165044140
CID 174094412
CID 174094412
5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[4-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]propanoyl]amino]indole-1,2-dicarboxylic acid
CID 175282092

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide (CID 169324067) is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide is O=C(Nc1ccc(N2CCOC2=O)cc1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide?
The InChIKey is KUGPAKOCCVGHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN8O5/c30-20-6-11-23(38-18-31-33-34-38)24(15-20)36-16-27(40)37(17-26(36)39)25(14-19-4-2-1-3-5-19)28(41)32-21-7-9-22(10-8-21)35-12-13-43-29(35)42/h1-11,15,18,25H,12-14,16-17H2,(H,32,41).
What are the key properties of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide?
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide has a molecular weight of 601.02 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 169324067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).