3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C18H18N2O4 — CID 134019686

IUPAC3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H18N2O4/c1-11-3-4-12(2)16(9-11)23-8-7-17(21)19-13-5-6-15-14(10-13)20-18(22)24-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZMOAVINBJVALBV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.15
Rot. Bonds5

About 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 134019686) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID134019686
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H18N2O4/c1-11-3-4-12(2)16(9-11)23-8-7-17(21)19-13-5-6-15-14(10-13)20-18(22)24-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZMOAVINBJVALBV-UHFFFAOYSA-N
XLogP3.15
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
CID 119709902
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 134019686) is 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ZMOAVINBJVALBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-3-4-12(2)16(9-11)23-8-7-17(21)19-13-5-6-15-14(10-13)20-18(22)24-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 326.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 134019686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).