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

C18H18ClN3O3 — CID 45495715

IUPACN-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H18ClN3O3/c1-9(2)13-8-12(16-10(3)22-25-18(16)21-13)17(23)20-14-7-11(19)5-6-15(14)24-4/h5-9H,1-4H3,(H,20,23)
InChIKeyPYAMLTFUHXVMOD-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.57
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 45495715) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID45495715
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H18ClN3O3/c1-9(2)13-8-12(16-10(3)22-25-18(16)21-13)17(23)20-14-7-11(19)5-6-15(14)24-4/h5-9H,1-4H3,(H,20,23)
InChIKeyPYAMLTFUHXVMOD-UHFFFAOYSA-N
XLogP4.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807982
N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78886813
N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 119353215
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78868309
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485517
N-(5-chloro-2-methoxyphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267329
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 45495715) is N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PYAMLTFUHXVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-9(2)13-8-12(16-10(3)22-25-18(16)21-13)17(23)20-14-7-11(19)5-6-15(14)24-4/h5-9H,1-4H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 45495715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).