2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H23FN4O4 — CID 60504801

IUPAC2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CC(=O)N(C)CCOc2ccccc2F)no1
InChIInChI=1S/C18H23FN4O4/c1-13-10-16(21-27-13)20-17(24)11-22(2)12-18(25)23(3)8-9-26-15-7-5-4-6-14(15)19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,21,24)
InChIKeyHBLANXPFXSVRKG-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.53
Rot. Bonds9

About 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 60504801) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID60504801
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)CC(=O)N(C)CCOc2ccccc2F)no1
InChIInChI=1S/C18H23FN4O4/c1-13-10-16(21-27-13)20-17(24)11-22(2)12-18(25)23(3)8-9-26-15-7-5-4-6-14(15)19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,21,24)
InChIKeyHBLANXPFXSVRKG-UHFFFAOYSA-N
XLogP1.53
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799341
2-[[2-(2-fluorophenoxy)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110671924
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 60504801) is 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)CC(=O)N(C)CCOc2ccccc2F)no1.
What is the InChIKey of 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HBLANXPFXSVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-13-10-16(21-27-13)20-17(24)11-22(2)12-18(25)23(3)8-9-26-15-7-5-4-6-14(15)19/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,21,24).
What are the key properties of 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 378.40 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 60504801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).