6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H25N3O3 — CID 51130319

IUPAC6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CC(C)N(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1
InChIInChI=1S/C22H25N3O3/c1-13(11-15-5-9-17(27-4)10-6-15)25(3)22(26)18-12-19(16-7-8-16)23-21-20(18)14(2)24-28-21/h5-6,9-10,12-13,16H,7-8,11H2,1-4H3
InChIKeyPJYWIEGOQMHLCO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.12
Rot. Bonds6

About 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51130319) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51130319
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CC(C)N(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1
InChIInChI=1S/C22H25N3O3/c1-13(11-15-5-9-17(27-4)10-6-15)25(3)22(26)18-12-19(16-7-8-16)23-21-20(18)14(2)24-28-21/h5-6,9-10,12-13,16H,7-8,11H2,1-4H3
InChIKeyPJYWIEGOQMHLCO-UHFFFAOYSA-N
XLogP4.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51130319) is 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CC(C)N(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PJYWIEGOQMHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(11-15-5-9-17(27-4)10-6-15)25(3)22(26)18-12-19(16-7-8-16)23-21-20(18)14(2)24-28-21/h5-6,9-10,12-13,16H,7-8,11H2,1-4H3.
What are the key properties of 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51130319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).