2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C20H15ClN2O4 — CID 110616262

IUPAC2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4/c21-13-5-3-12(4-6-13)16(11-15-2-1-9-26-15)19(24)22-14-7-8-18-17(10-14)23-20(25)27-18/h1-10,16H,11H2,(H,22,24)(H,23,25)
InChIKeyPZNSYWZGLQSCPP-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110616262) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID110616262
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4/c21-13-5-3-12(4-6-13)16(11-15-2-1-9-26-15)19(24)22-14-7-8-18-17(10-14)23-20(25)27-18/h1-10,16H,11H2,(H,22,24)(H,23,25)
InChIKeyPZNSYWZGLQSCPP-UHFFFAOYSA-N
XLogP4.33
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019681
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 65225120
(2S)-2-amino-4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide;hydrochloride
CID 119281841
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110608109

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 110616262) is 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)C(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is PZNSYWZGLQSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-13-5-3-12(4-6-13)16(11-15-2-1-9-26-15)19(24)22-14-7-8-18-17(10-14)23-20(25)27-18/h1-10,16H,11H2,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 382.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110616262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).