N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H16ClN3O2 — CID 171315198

IUPACN-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C19H16ClN3O2/c20-13-3-1-2-4-14(13)21-18(24)12-9-15(10-5-6-10)22-19-16(12)17(23-25-19)11-7-8-11/h1-4,9-11H,5-8H2,(H,21,24)
InChIKeyBIQIKZNFYBPKMS-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.88
Rot. Bonds4

About N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315198) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315198
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C19H16ClN3O2/c20-13-3-1-2-4-14(13)21-18(24)12-9-15(10-5-6-10)22-19-16(12)17(23-25-19)11-7-8-11/h1-4,9-11H,5-8H2,(H,21,24)
InChIKeyBIQIKZNFYBPKMS-UHFFFAOYSA-N
XLogP4.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315156
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55777328
6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801159
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315129
N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56797790
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019
3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802431
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315198) is N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccccc1Cl)c1cc(C2CC2)nc2onc(C3CC3)c12.
What is the InChIKey of N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BIQIKZNFYBPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-13-3-1-2-4-14(13)21-18(24)12-9-15(10-5-6-10)22-19-16(12)17(23-25-19)11-7-8-11/h1-4,9-11H,5-8H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).