2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide

C18H22N2O3 — CID 42279154

IUPAC2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1
InChIInChI=1S/C18H22N2O3/c1-11-4-5-16-15(9-11)18(23-20-16)19-17(21)10-22-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyMNLXCLPFITZAHD-LLVKDONJSA-N
MW314.38 g/mol
LogP3.43
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide

2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide (PubChem CID 42279154) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
PubChem CID42279154
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1
InChIInChI=1S/C18H22N2O3/c1-11-4-5-16-15(9-11)18(23-20-16)19-17(21)10-22-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyMNLXCLPFITZAHD-LLVKDONJSA-N
XLogP3.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide with MolForge

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 17010772
2-(2-methylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 40947683
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279138
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279135
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
CID 42279932
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
CID 35343063
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062815
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 42279145
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]furan-2-carboxamide
CID 42280243
3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 46299904
5-fluoro-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
CID 17011809
5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide
CID 40947130

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide (CID 42279154) is 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?
The InChIKey is MNLXCLPFITZAHD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-4-5-16-15(9-11)18(23-20-16)19-17(21)10-22-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 42279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).