3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H17FN2O3 — CID 16681863

IUPAC3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C18H17FN2O3/c1-23-16-9-5-2-6-12(16)11-20-18(22)17-10-15(21-24-17)13-7-3-4-8-14(13)19/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyMCFSIPPZPRCVCX-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681863) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681863
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C18H17FN2O3/c1-23-16-9-5-2-6-12(16)11-20-18(22)17-10-15(21-24-17)13-7-3-4-8-14(13)19/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyMCFSIPPZPRCVCX-UHFFFAOYSA-N
XLogP2.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 6905527
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9461986
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239645
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601
N-(4-fluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3237190
N-isopropyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3238224
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3244178

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681863) is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1CNC(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MCFSIPPZPRCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-16-9-5-2-6-12(16)11-20-18(22)17-10-15(21-24-17)13-7-3-4-8-14(13)19/h2-9,17H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).