N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H17FN2O4 — CID 55982987

IUPACN-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H17FN2O4/c23-15-6-5-7-16(14-15)28-19-10-3-1-8-17(19)24-21(26)12-13-25-18-9-2-4-11-20(18)29-22(25)27/h1-11,14H,12-13H2,(H,24,26)
InChIKeyFDLFZURAQZKLSO-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.55
Rot. Bonds6

About N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55982987) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID55982987
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC NameN-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H17FN2O4/c23-15-6-5-7-16(14-15)28-19-10-3-1-8-17(19)24-21(26)12-13-25-18-9-2-4-11-20(18)29-22(25)27/h1-11,14H,12-13H2,(H,24,26)
InChIKeyFDLFZURAQZKLSO-UHFFFAOYSA-N
XLogP4.55
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561188
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55727578
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
CID 43068531
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 39956388
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383536

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 55982987) is N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is FDLFZURAQZKLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-15-6-5-7-16(14-15)28-19-10-3-1-8-17(19)24-21(26)12-13-25-18-9-2-4-11-20(18)29-22(25)27/h1-11,14H,12-13H2,(H,24,26).
What are the key properties of N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 392.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55982987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).