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

C18H11ClN2O3 — CID 17296967

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1
InChIInChI=1S/C18H11ClN2O3/c19-12-6-7-15-14(10-12)21-18(24-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-23-16/h1-10H,(H,20,22)
InChIKeyJTRAJRFMIGDONR-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.99
Rot. Bonds3

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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 17296967) has the molecular formula C18H11ClN2O3 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID17296967
Molecular FormulaC18H11ClN2O3
Molecular Weight338.75 g/mol
Exact Mass338.05
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1
InChIInChI=1S/C18H11ClN2O3/c19-12-6-7-15-14(10-12)21-18(24-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-23-16/h1-10H,(H,20,22)
InChIKeyJTRAJRFMIGDONR-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-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
CID 1362861
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17162616
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1016768
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 1362607
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707
2-benzylsulfanyl-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17362953
2,4-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2269192

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (CID 17296967) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is JTRAJRFMIGDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3/c19-12-6-7-15-14(10-12)21-18(24-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-23-16/h1-10H,(H,20,22).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]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-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17296967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).