N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C23H25ClN4O4S — CID 29195600

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25ClN4O4S/c1-17-21(22(26-32-17)19-9-5-6-10-20(19)24)23(29)25-11-12-27-13-15-28(16-14-27)33(30,31)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyTXNBVDUCROTGCG-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 29195600) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID29195600
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25ClN4O4S/c1-17-21(22(26-32-17)19-9-5-6-10-20(19)24)23(29)25-11-12-27-13-15-28(16-14-27)33(30,31)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyTXNBVDUCROTGCG-UHFFFAOYSA-N
XLogP3.04
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 87032432
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 29195600) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is TXNBVDUCROTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-17-21(22(26-32-17)19-9-5-6-10-20(19)24)23(29)25-11-12-27-13-15-28(16-14-27)33(30,31)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 29195600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).