N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C17H15Cl2N3O2 — CID 51133033

IUPACN-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NC(C)(C)c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C17H15Cl2N3O2/c1-9-11-7-10(8-20-16(11)24-22-9)15(23)21-17(2,3)14-12(18)5-4-6-13(14)19/h4-8H,1-3H3,(H,21,23)
InChIKeyMWOUJDNYEPQDFO-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 51133033) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID51133033
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NC(C)(C)c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C17H15Cl2N3O2/c1-9-11-7-10(8-20-16(11)24-22-9)15(23)21-17(2,3)14-12(18)5-4-6-13(14)19/h4-8H,1-3H3,(H,21,23)
InChIKeyMWOUJDNYEPQDFO-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 51133033) is N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NC(C)(C)c3c(Cl)cccc3Cl)cc12.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MWOUJDNYEPQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-9-11-7-10(8-20-16(11)24-22-9)15(23)21-17(2,3)14-12(18)5-4-6-13(14)19/h4-8H,1-3H3,(H,21,23).
What are the key properties of N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 51133033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).