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

C17H14ClFN2O2 — CID 1369889

IUPACN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C17H14ClFN2O2/c1-2-3-16(22)20-11-5-7-15-14(9-11)21-17(23-15)12-6-4-10(19)8-13(12)18/h4-9H,2-3H2,1H3,(H,20,22)
InChIKeyAWTIOGPIZFXRJE-UHFFFAOYSA-N
MW332.76 g/mol
LogP5.03
Rot. Bonds4

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

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide (PubChem CID 1369889) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
PubChem CID1369889
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1
InChIInChI=1S/C17H14ClFN2O2/c1-2-3-16(22)20-11-5-7-15-14(9-11)21-17(23-15)12-6-4-10(19)8-13(12)18/h4-9H,2-3H2,1H3,(H,20,22)
InChIKeyAWTIOGPIZFXRJE-UHFFFAOYSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.76
LogP ≤ 55.03
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]propanamide
CID 875923
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-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 1290304
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 136794425
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
N-[2-(2-bromo-5-fluorophenyl)-1,3-benzoxazol-5-yl]-2-ethylsulfonylacetamide
CID 71887454
N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110986
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 21214904

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide (CID 1369889) is N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide is CCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide?
The InChIKey is AWTIOGPIZFXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-2-3-16(22)20-11-5-7-15-14(9-11)21-17(23-15)12-6-4-10(19)8-13(12)18/h4-9H,2-3H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide?
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide has a molecular weight of 332.76 g/mol, XLogP of 5.03, 4 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]butanamide is sourced from PubChem (CID 1369889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).