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

C21H15FN2O3 — CID 23793460

IUPACN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1
InChIInChI=1S/C21H15FN2O3/c1-26-15-9-6-13(7-10-15)20(25)23-14-8-11-19-18(12-14)24-21(27-19)16-4-2-3-5-17(16)22/h2-12H,1H3,(H,23,25)
InChIKeyINBQIGQYOZJYSV-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.89
Rot. Bonds4

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

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide (PubChem CID 23793460) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
PubChem CID23793460
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1
InChIInChI=1S/C21H15FN2O3/c1-26-15-9-6-13(7-10-15)20(25)23-14-8-11-19-18(12-14)24-21(27-19)16-4-2-3-5-17(16)22/h2-12H,1H3,(H,23,25)
InChIKeyINBQIGQYOZJYSV-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide 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-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3237758
4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 23987691
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 4208368
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide (CID 23793460) is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide?
The InChIKey is INBQIGQYOZJYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-26-15-9-6-13(7-10-15)20(25)23-14-8-11-19-18(12-14)24-21(27-19)16-4-2-3-5-17(16)22/h2-12H,1H3,(H,23,25).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide?
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide has a molecular weight of 362.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 23793460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).