3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide

C20H24Cl2N4O4 — CID 3462860

IUPAC3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(NC(=O)CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C20H24Cl2N4O4/c1-14-11-18(24-30-14)23-19(27)13-26(6-2-5-25-7-9-29-10-8-25)20(28)15-3-4-16(21)17(22)12-15/h3-4,11-12H,2,5-10,13H2,1H3,(H,23,24,27)
InChIKeyGQMHOLOVMAPMNY-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.09
Rot. Bonds8

About 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide

3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3462860) has the molecular formula C20H24Cl2N4O4 and a molecular weight of 455.34 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3462860
Molecular FormulaC20H24Cl2N4O4
Molecular Weight455.34 g/mol
Exact Mass454.12
IUPAC Name3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(NC(=O)CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C20H24Cl2N4O4/c1-14-11-18(24-30-14)23-19(27)13-26(6-2-5-25-7-9-29-10-8-25)20(28)15-3-4-16(21)17(22)12-15/h3-4,11-12H,2,5-10,13H2,1H3,(H,23,24,27)
InChIKeyGQMHOLOVMAPMNY-UHFFFAOYSA-N
XLogP3.09
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4133885
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
2-[(4-chlorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3258834
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3444758
4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7440055
3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7404873

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 3462860) is 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(NC(=O)CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is GQMHOLOVMAPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O4/c1-14-11-18(24-30-14)23-19(27)13-26(6-2-5-25-7-9-29-10-8-25)20(28)15-3-4-16(21)17(22)12-15/h3-4,11-12H,2,5-10,13H2,1H3,(H,23,24,27).
What are the key properties of 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 455.34 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3462860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).