N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide

C23H21N3O3 — CID 6462401

IUPACN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-2-13-28-19-6-3-5-18(14-19)22(27)25-15-16-8-10-17(11-9-16)23-26-21-20(29-23)7-4-12-24-21/h3-12,14H,2,13,15H2,1H3,(H,25,27)
InChIKeyNCNXKGDOUIJZEX-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.61
Rot. Bonds7

About N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide

N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide (PubChem CID 6462401) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
PubChem CID6462401
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-2-13-28-19-6-3-5-18(14-19)22(27)25-15-16-8-10-17(11-9-16)23-26-21-20(29-23)7-4-12-24-21/h3-12,14H,2,13,15H2,1H3,(H,25,27)
InChIKeyNCNXKGDOUIJZEX-UHFFFAOYSA-N
XLogP4.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
3-butoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17336401
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propoxybenzamide
CID 2275973
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 17336612
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
2,3,5,6-tetrafluoro-4-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336686
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
2-chloro-5-iodo-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336639

Frequently Asked Questions

What is the IUPAC name of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide?
The IUPAC name of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide (CID 6462401) is N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide?
The canonical SMILES for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1.
What is the InChIKey of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide?
The InChIKey is NCNXKGDOUIJZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-13-28-19-6-3-5-18(14-19)22(27)25-15-16-8-10-17(11-9-16)23-26-21-20(29-23)7-4-12-24-21/h3-12,14H,2,13,15H2,1H3,(H,25,27).
What are the key properties of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide?
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide is sourced from PubChem (CID 6462401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).