N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide

C19H19FN2O3 — CID 100510362

IUPACN-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
SMILESCc1ccc2oc(CCC(=O)NCCOc3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H19FN2O3/c1-13-2-7-17-16(12-13)22-19(25-17)9-8-18(23)21-10-11-24-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,23)
InChIKeyQGBKKKYLHLECHV-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide

N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide (PubChem CID 100510362) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
PubChem CID100510362
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
SMILESCc1ccc2oc(CCC(=O)NCCOc3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H19FN2O3/c1-13-2-7-17-16(12-13)22-19(25-17)9-8-18(23)21-10-11-24-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,23)
InChIKeyQGBKKKYLHLECHV-UHFFFAOYSA-N
XLogP3.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510330
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 40729610
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
N-[2-(4-fluorophenoxy)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 37360908
4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide (CID 100510362) is N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide is Cc1ccc2oc(CCC(=O)NCCOc3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The InChIKey is QGBKKKYLHLECHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-2-7-17-16(12-13)22-19(25-17)9-8-18(23)21-10-11-24-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide has a molecular weight of 342.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide is sourced from PubChem (CID 100510362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).