[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate

C23H18N2O4 — CID 8985206

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
SMILESO=C(Cc1noc2ccccc12)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H18N2O4/c26-22(14-20-19-8-4-5-9-21(19)29-25-20)28-15-16-10-12-17(13-11-16)23(27)24-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,24,27)
InChIKeyFASOQSLSHXSINP-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.37
Rot. Bonds6

About [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate

[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 8985206) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID8985206
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
SMILESO=C(Cc1noc2ccccc12)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H18N2O4/c26-22(14-20-19-8-4-5-9-21(19)29-25-20)28-15-16-10-12-17(13-11-16)23(27)24-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,24,27)
InChIKeyFASOQSLSHXSINP-UHFFFAOYSA-N
XLogP4.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985766
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985013
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984522
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982857
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
CID 78816290
[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
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985221
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
CID 7185731
[4-(phenylcarbamoyl)phenyl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728157

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate (CID 8985206) is [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate is O=C(Cc1noc2ccccc12)OCc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is FASOQSLSHXSINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-22(14-20-19-8-4-5-9-21(19)29-25-20)28-15-16-10-12-17(13-11-16)23(27)24-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,24,27).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate?
[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 386.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 8985206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).