2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

C23H20FN3O2 — CID 24790318

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCC(c1ccccn1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C23H20FN3O2/c1-15(19-9-5-6-12-25-19)27(2)23(28)17-10-11-20-21(13-17)29-22(26-20)14-16-7-3-4-8-18(16)24/h3-13,15H,14H2,1-2H3
InChIKeyAKZMVEIFYOALHF-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.79
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24790318) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24790318
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCC(c1ccccn1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C23H20FN3O2/c1-15(19-9-5-6-12-25-19)27(2)23(28)17-10-11-20-21(13-17)29-22(26-20)14-16-7-3-4-8-18(16)24/h3-13,15H,14H2,1-2H3
InChIKeyAKZMVEIFYOALHF-UHFFFAOYSA-N
XLogP4.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone
CID 45279979
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (CID 24790318) is 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is CC(c1ccccn1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is AKZMVEIFYOALHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15(19-9-5-6-12-25-19)27(2)23(28)17-10-11-20-21(13-17)29-22(26-20)14-16-7-3-4-8-18(16)24/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24790318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).