2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

C18H21N3O4 — CID 17441178

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Oc1ccc(C#N)cc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21N3O4/c1-4-5-6-15(18(22)20-17-9-12(2)25-21-17)24-14-8-7-13(11-19)10-16(14)23-3/h7-10,15H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyXMSGCAXOIZKTLV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (PubChem CID 17441178) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
PubChem CID17441178
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Oc1ccc(C#N)cc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21N3O4/c1-4-5-6-15(18(22)20-17-9-12(2)25-21-17)24-14-8-7-13(11-19)10-16(14)23-3/h7-10,15H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyXMSGCAXOIZKTLV-UHFFFAOYSA-N
XLogP3.44
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 55493953
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303
methyl 2-(5-cyano-2-methoxyphenyl)hexanoate
CID 106951150
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55704749
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (CID 17441178) is 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is CCCCC(Oc1ccc(C#N)cc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The InChIKey is XMSGCAXOIZKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-5-6-15(18(22)20-17-9-12(2)25-21-17)24-14-8-7-13(11-19)10-16(14)23-3/h7-10,15H,4-6H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide has a molecular weight of 343.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 17441178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).