[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

C19H17N3O5 — CID 8985766

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H17N3O5/c1-20-19(25)12-6-8-13(9-7-12)21-17(23)11-26-18(24)10-15-14-4-2-3-5-16(14)27-22-15/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyBXFGQKXMXCVVKB-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.91
Rot. Bonds6

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 8985766) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID8985766
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H17N3O5/c1-20-19(25)12-6-8-13(9-7-12)21-17(23)11-26-18(24)10-15-14-4-2-3-5-16(14)27-22-15/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyBXFGQKXMXCVVKB-UHFFFAOYSA-N
XLogP1.91
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982857
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982732
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985013
[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985206
[2-(2-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982841
[2-(2-cyanoanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982625
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983462
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985731
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982570
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984522
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 55404714

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (CID 8985766) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is CNC(=O)c1ccc(NC(=O)COC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is BXFGQKXMXCVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-20-19(25)12-6-8-13(9-7-12)21-17(23)11-26-18(24)10-15-14-4-2-3-5-16(14)27-22-15/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 367.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 8985766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).