N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H19FN4O3 — CID 55920916

IUPACN-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cccc(C(N)=O)c3)c12
InChIInChI=1S/C23H19FN4O3/c1-13-20-18(23(30)28(2)12-14-4-3-5-16(10-14)21(25)29)11-19(26-22(20)31-27-13)15-6-8-17(24)9-7-15/h3-11H,12H2,1-2H3,(H2,25,29)
InChIKeyPMGLVDHDGKAAHW-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.71
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55920916) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55920916
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cccc(C(N)=O)c3)c12
InChIInChI=1S/C23H19FN4O3/c1-13-20-18(23(30)28(2)12-14-4-3-5-16(10-14)21(25)29)11-19(26-22(20)31-27-13)15-6-8-17(24)9-7-15/h3-11H,12H2,1-2H3,(H2,25,29)
InChIKeyPMGLVDHDGKAAHW-UHFFFAOYSA-N
XLogP3.71
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051207
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N-ethyl-6-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134036791
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682210
[2-[di(propan-2-yl)amino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681871
N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681787
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55920916) is N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cccc(C(N)=O)c3)c12.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PMGLVDHDGKAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-13-20-18(23(30)28(2)12-14-4-3-5-16(10-14)21(25)29)11-19(26-22(20)31-27-13)15-6-8-17(24)9-7-15/h3-11H,12H2,1-2H3,(H2,25,29).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55920916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).