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

C20H22ClN3O3 — CID 78833357

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)N(C)CCOc3ccc(Cl)cc3)c12
InChIInChI=1S/C20H22ClN3O3/c1-12(2)17-11-16(18-13(3)23-27-19(18)22-17)20(25)24(4)9-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXOQQBBOMHCVRNM-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.46
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78833357) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78833357
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)N(C)CCOc3ccc(Cl)cc3)c12
InChIInChI=1S/C20H22ClN3O3/c1-12(2)17-11-16(18-13(3)23-27-19(18)22-17)20(25)24(4)9-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXOQQBBOMHCVRNM-UHFFFAOYSA-N
XLogP4.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78833357) is N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)N(C)CCOc3ccc(Cl)cc3)c12.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XOQQBBOMHCVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12(2)17-11-16(18-13(3)23-27-19(18)22-17)20(25)24(4)9-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78833357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).