N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

C22H19ClN2O4 — CID 110278672

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 110278672) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 110278672
• Molecular Formula: C22H19ClN2O4
• Molecular Weight: 410.86 g/mol
• Exact Mass: 410.10
• IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cc(OCc2ccc(C(=O)NC(C)c3nc4ccccc4o3)o2)ccc1Cl
• InChI: InChI=1S/C22H19ClN2O4/c1-13-11-15(7-9-17(13)23)27-12-16-8-10-20(28-16)21(26)24-14(2)22-25-18-5-3-4-6-19(18)29-22/h3-11,14H,12H2,1-2H3,(H,24,26)
• InChIKey: KYHHHMPMPNZZLF-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 77.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.86
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (CID 110278672) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)NC(C)c3nc4ccccc4o3)o2)ccc1Cl.

What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is KYHHHMPMPNZZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-13-11-15(7-9-17(13)23)27-12-16-8-10-20(28-16)21(26)24-14(2)22-25-18-5-3-4-6-19(18)29-22/h3-11,14H,12H2,1-2H3,(H,24,26).

What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?

N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 110278672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).