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

C20H22FN3O3 — CID 78831346

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C(C)C)nc3onc(C)c23)cc1F
InChIInChI=1S/C20H22FN3O3/c1-11(2)16-9-14(18-12(3)23-27-19(18)22-16)20(25)24(4)10-13-6-7-17(26-5)15(21)8-13/h6-9,11H,10H2,1-5H3
InChIKeyQLICKIXDRWTBRF-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.07
Rot. Bonds5

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

N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78831346) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78831346
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C(C)C)nc3onc(C)c23)cc1F
InChIInChI=1S/C20H22FN3O3/c1-11(2)16-9-14(18-12(3)23-27-19(18)22-16)20(25)24(4)10-13-6-7-17(26-5)15(21)8-13/h6-9,11H,10H2,1-5H3
InChIKeyQLICKIXDRWTBRF-UHFFFAOYSA-N
XLogP4.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861333
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830850
N-[(3-chlorophenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831602
N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836038
N,3-dimethyl-6-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75406936
N-[1-(3,4-difluorophenyl)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836838
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78833357
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 46418975
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78831346) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CN(C)C(=O)c2cc(C(C)C)nc3onc(C)c23)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QLICKIXDRWTBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11(2)16-9-14(18-12(3)23-27-19(18)22-16)20(25)24(4)10-13-6-7-17(26-5)15(21)8-13/h6-9,11H,10H2,1-5H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78831346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).