N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C22H20N2O3 — CID 8852706

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H20N2O3/c1-14-19(15(2)27-24-14)11-12-22(25)23-18-9-7-16(8-10-18)21-13-17-5-3-4-6-20(17)26-21/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyFANZBSMKUKMQRP-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.28
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 8852706) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID8852706
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H20N2O3/c1-14-19(15(2)27-24-14)11-12-22(25)23-18-9-7-16(8-10-18)21-13-17-5-3-4-6-20(17)26-21/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyFANZBSMKUKMQRP-UHFFFAOYSA-N
XLogP5.28
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 8852706) is N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is FANZBSMKUKMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-19(15(2)27-24-14)11-12-22(25)23-18-9-7-16(8-10-18)21-13-17-5-3-4-6-20(17)26-21/h3-10,13H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 360.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 8852706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).