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

C12H8ClN3O — CID 736351

IUPAC4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H8ClN3O/c13-9-4-3-7(14)6-8(9)12-16-11-10(17-12)2-1-5-15-11/h1-6H,14H2
InChIKeyFBJLATKOADLRTN-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.13
Rot. Bonds1

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

4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 736351) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID736351
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H8ClN3O/c13-9-4-3-7(14)6-8(9)12-16-11-10(17-12)2-1-5-15-11/h1-6H,14H2
InChIKeyFBJLATKOADLRTN-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
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
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
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
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
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
1-(Oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one
CID 44389776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 736351) is 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is FBJLATKOADLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-4-3-7(14)6-8(9)12-16-11-10(17-12)2-1-5-15-11/h1-6H,14H2.
What are the key properties of 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 245.67 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 736351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).