N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide

C23H20FN3O2 — CID 42532477

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)nc1
InChIInChI=1S/C23H20FN3O2/c1-3-15-7-9-19(25-13-15)14-27(2)23(28)17-8-10-21-20(12-17)26-22(29-21)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3
InChIKeyDPCOHTIQFHERSL-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.86
Rot. Bonds5

About N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 42532477) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID42532477
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)nc1
InChIInChI=1S/C23H20FN3O2/c1-3-15-7-9-19(25-13-15)14-27(2)23(28)17-8-10-21-20(12-17)26-22(29-21)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3
InChIKeyDPCOHTIQFHERSL-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide (CID 42532477) is N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide is CCc1ccc(CN(C)C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is DPCOHTIQFHERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-3-15-7-9-19(25-13-15)14-27(2)23(28)17-8-10-21-20(12-17)26-22(29-21)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)-N-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42532477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).