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

C21H16ClN3O2 — CID 1395040

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1
InChIInChI=1S/C21H16ClN3O2/c1-12-5-7-15(13(2)10-12)20(26)24-14-6-8-17(22)16(11-14)21-25-19-18(27-21)4-3-9-23-19/h3-11H,1-2H3,(H,24,26)
InChIKeyFIGPVBKLAFYECT-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.41
Rot. Bonds3

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

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide (PubChem CID 1395040) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
PubChem CID1395040
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1
InChIInChI=1S/C21H16ClN3O2/c1-12-5-7-15(13(2)10-12)20(26)24-14-6-8-17(22)16(11-14)21-25-19-18(27-21)4-3-9-23-19/h3-11H,1-2H3,(H,24,26)
InChIKeyFIGPVBKLAFYECT-UHFFFAOYSA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 5337118
4-Chloro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline
CID 736351
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2-(4-bromophenoxy)-N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide
CID 983787

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide (CID 1395040) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is FIGPVBKLAFYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-12-5-7-15(13(2)10-12)20(26)24-14-6-8-17(22)16(11-14)21-25-19-18(27-21)4-3-9-23-19/h3-11H,1-2H3,(H,24,26).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 377.83 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 1395040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).