3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H19N3O2 — CID 97218365

IUPAC3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C19H19N3O2/c1-11-10-15(17-12(2)22-24-19(17)20-11)18(23)21-16-9-8-14(16)13-6-4-3-5-7-13/h3-7,10,14,16H,8-9H2,1-2H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyMQPBUZLAUYMENE-GDBMZVCRSA-N
MW321.38 g/mol
LogP3.52
Rot. Bonds3

About 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 97218365) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID97218365
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C19H19N3O2/c1-11-10-15(17-12(2)22-24-19(17)20-11)18(23)21-16-9-8-14(16)13-6-4-3-5-7-13/h3-7,10,14,16H,8-9H2,1-2H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyMQPBUZLAUYMENE-GDBMZVCRSA-N
XLogP3.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 97218365) is 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MQPBUZLAUYMENE-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-10-15(17-12(2)22-24-19(17)20-11)18(23)21-16-9-8-14(16)13-6-4-3-5-7-13/h3-7,10,14,16H,8-9H2,1-2H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 97218365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).