3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C21H18N2O4 — CID 110411098

IUPAC3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(C(Cc2ccco2)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C21H18N2O4/c1-13-4-6-14(7-5-13)17(12-16-3-2-10-26-16)20(24)22-15-8-9-18-19(11-15)27-21(25)23-18/h2-11,17H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWKNYEIJZQRFBX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.99
Rot. Bonds5

About 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 110411098) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID110411098
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(C(Cc2ccco2)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C21H18N2O4/c1-13-4-6-14(7-5-13)17(12-16-3-2-10-26-16)20(24)22-15-8-9-18-19(11-15)27-21(25)23-18/h2-11,17H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWKNYEIJZQRFBX-UHFFFAOYSA-N
XLogP3.99
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110616262
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110608109
3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411113
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110619565
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110607882
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 110411098) is 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is Cc1ccc(C(Cc2ccco2)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is XWKNYEIJZQRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13-4-6-14(7-5-13)17(12-16-3-2-10-26-16)20(24)22-15-8-9-18-19(11-15)27-21(25)23-18/h2-11,17H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 362.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 110411098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).