N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide

C21H16FN3O2 — CID 58486870

IUPACN-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESCc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C21H16FN3O2/c1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22/h3-11H,1-2H3,(H,23,24,26)
InChIKeyIODOVZMFRJJYQD-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.90
Rot. Bonds3

About N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide

N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58486870) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
PubChem CID58486870
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESCc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C21H16FN3O2/c1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22/h3-11H,1-2H3,(H,23,24,26)
InChIKeyIODOVZMFRJJYQD-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine
CID 71105351
2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487360
N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58487425
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 58487519
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
N-[5-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 58487274
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide (CID 58486870) is N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide is Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is IODOVZMFRJJYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22/h3-11H,1-2H3,(H,23,24,26).
What are the key properties of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 361.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58486870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).