N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide

C18H11ClN2O3 — CID 779025

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccco1
InChIInChI=1S/C18H11ClN2O3/c19-12-8-7-11(18-21-13-4-1-2-5-15(13)24-18)10-14(12)20-17(22)16-6-3-9-23-16/h1-10H,(H,20,22)
InChIKeyVRFLNCWXUNBYEJ-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.99
Rot. Bonds3

About N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide (PubChem CID 779025) has the molecular formula C18H11ClN2O3 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
PubChem CID779025
Molecular FormulaC18H11ClN2O3
Molecular Weight338.75 g/mol
Exact Mass338.05
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccco1
InChIInChI=1S/C18H11ClN2O3/c19-12-8-7-11(18-21-13-4-1-2-5-15(13)24-18)10-14(12)20-17(22)16-6-3-9-23-16/h1-10H,(H,20,22)
InChIKeyVRFLNCWXUNBYEJ-UHFFFAOYSA-N
XLogP4.99
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 4680638
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloropropanamide
CID 3129789
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1115186
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 4995674
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4020168
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-cyanoacetamide
CID 168522165
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-propan-2-yloxybenzamide
CID 3125092
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
CID 135416435

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide (CID 779025) is N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide is O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccco1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide?
The InChIKey is VRFLNCWXUNBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3/c19-12-8-7-11(18-21-13-4-1-2-5-15(13)24-18)10-14(12)20-17(22)16-6-3-9-23-16/h1-10H,(H,20,22).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 779025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).