methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate

C19H18N2O4 — CID 108804334

IUPACmethyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-11-8-15-16(21-25-17(15)9-12(11)2)10-18(22)20-14-6-4-13(5-7-14)19(23)24-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyFLDNDMFHYMZQIV-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.41
Rot. Bonds4

About methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate

methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate (PubChem CID 108804334) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
PubChem CID108804334
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-11-8-15-16(21-25-17(15)9-12(11)2)10-18(22)20-14-6-4-13(5-7-14)19(23)24-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyFLDNDMFHYMZQIV-UHFFFAOYSA-N
XLogP3.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108741140
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
CID 108792083
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108803227
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate (CID 108804334) is methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1.
What is the InChIKey of methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The InChIKey is FLDNDMFHYMZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-8-15-16(21-25-17(15)9-12(11)2)10-18(22)20-14-6-4-13(5-7-14)19(23)24-3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108804334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).