N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide

C23H19ClN2O3 — CID 23937296

IUPACN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-12-28-19-9-6-15(7-10-19)22(27)25-18-8-11-21-20(14-18)26-23(29-21)16-4-3-5-17(24)13-16/h3-11,13-14H,2,12H2,1H3,(H,25,27)
InChIKeyLAKISNJORUAUST-UHFFFAOYSA-N
MW406.87 g/mol
LogP6.19
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide (PubChem CID 23937296) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
PubChem CID23937296
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-12-28-19-9-6-15(7-10-19)22(27)25-18-8-11-21-20(14-18)26-23(29-21)16-4-3-5-17(24)13-16/h3-11,13-14H,2,12H2,1H3,(H,25,27)
InChIKeyLAKISNJORUAUST-UHFFFAOYSA-N
XLogP6.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide 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-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide
CID 43913326
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 23908646
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415
4-heptoxy-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3126596
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-4-butoxybenzamide
CID 3399049
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-butoxy-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 23095104
3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 21211496
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propoxybenzamide
CID 23739423

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide (CID 23937296) is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide?
The InChIKey is LAKISNJORUAUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-12-28-19-9-6-15(7-10-19)22(27)25-18-8-11-21-20(14-18)26-23(29-21)16-4-3-5-17(24)13-16/h3-11,13-14H,2,12H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide?
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide is sourced from PubChem (CID 23937296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).