2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide

C19H18ClN3O3S — CID 55659288

IUPAC2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-15(23-19(26-12)16-7-4-10-27-16)11-17(24)21-8-9-22-18(25)13-5-2-3-6-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyQOLVXECLTQTCTC-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.45
Rot. Bonds7

About 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide (PubChem CID 55659288) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
PubChem CID55659288
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-15(23-19(26-12)16-7-4-10-27-16)11-17(24)21-8-9-22-18(25)13-5-2-3-6-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyQOLVXECLTQTCTC-UHFFFAOYSA-N
XLogP3.45
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32832937
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 31842014
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide (CID 55659288) is 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide is Cc1oc(-c2cccs2)nc1CC(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is QOLVXECLTQTCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12-15(23-19(26-12)16-7-4-10-27-16)11-17(24)21-8-9-22-18(25)13-5-2-3-6-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 403.89 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).