N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide

C19H18N4O4 — CID 46991011

IUPACN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C19H18N4O4/c1-11-10-19(2,27-23-11)18(24)21-13-9-12(6-7-14(13)25-3)17-22-16-15(26-17)5-4-8-20-16/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyBCZFMWRGTLJUGX-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.39
Rot. Bonds4

About N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 46991011) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
PubChem CID46991011
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C19H18N4O4/c1-11-10-19(2,27-23-11)18(24)21-13-9-12(6-7-14(13)25-3)17-22-16-15(26-17)5-4-8-20-16/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyBCZFMWRGTLJUGX-UHFFFAOYSA-N
XLogP3.39
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 22587197
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 18524792
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 71965790
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 6497027
5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1333230
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
3-chloro-4-methoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17358119

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide (CID 46991011) is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide is COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(C)CC(C)=NO1.
What is the InChIKey of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is BCZFMWRGTLJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-10-19(2,27-23-11)18(24)21-13-9-12(6-7-14(13)25-3)17-22-16-15(26-17)5-4-8-20-16/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).