N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide

C16H12ClFN2O2 — CID 875923

IUPACN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C16H12ClFN2O2/c1-2-15(21)19-10-4-6-14-13(8-10)20-16(22-14)11-5-3-9(18)7-12(11)17/h3-8H,2H2,1H3,(H,19,21)
InChIKeyQJOCZJREFSYKFO-UHFFFAOYSA-N
MW318.74 g/mol
LogP4.64
Rot. Bonds3

About N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 875923) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID875923
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C16H12ClFN2O2/c1-2-15(21)19-10-4-6-14-13(8-10)20-16(22-14)11-5-3-9(18)7-12(11)17/h3-8H,2H2,1H3,(H,19,21)
InChIKeyQJOCZJREFSYKFO-UHFFFAOYSA-N
XLogP4.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 7333470
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1327247
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(2-bromo-5-fluorophenyl)-1,3-benzoxazol-5-yl]-2-ethylsulfonylacetamide
CID 71887454
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 1290304
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
(E)-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17315618
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
CID 25211219

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide (CID 875923) is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is QJOCZJREFSYKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-2-15(21)19-10-4-6-14-13(8-10)20-16(22-14)11-5-3-9(18)7-12(11)17/h3-8H,2H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide?
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 318.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 875923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).