2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide

C20H18Cl2N4O3 — CID 174288282

IUPAC2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CNCc1ncc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H18Cl2N4O3/c1-23-20(28)13-4-2-3-5-16(13)26-18(27)10-24-11-19-25-9-17(29-19)14-8-12(21)6-7-15(14)22/h2-9,24H,10-11H2,1H3,(H,23,28)(H,26,27)
InChIKeyLCDHVQDKRRYHHS-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.74
Rot. Bonds7

About 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide

2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide (PubChem CID 174288282) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide
PubChem CID174288282
Molecular FormulaC20H18Cl2N4O3
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC Name2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CNCc1ncc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H18Cl2N4O3/c1-23-20(28)13-4-2-3-5-16(13)26-18(27)10-24-11-19-25-9-17(29-19)14-8-12(21)6-7-15(14)22/h2-9,24H,10-11H2,1H3,(H,23,28)(H,26,27)
InChIKeyLCDHVQDKRRYHHS-UHFFFAOYSA-N
XLogP3.74
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide (CID 174288282) is 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CNCc1ncc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide?
The InChIKey is LCDHVQDKRRYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c1-23-20(28)13-4-2-3-5-16(13)26-18(27)10-24-11-19-25-9-17(29-19)14-8-12(21)6-7-15(14)22/h2-9,24H,10-11H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide?
2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide has a molecular weight of 433.30 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylamino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 174288282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).