N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine

C20H15FN4O3 — CID 10339604

IUPACN-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine
SMILESO=[N+]([O-])c1ccc2oc(NC(Cc3ccc(F)cc3)c3ccccn3)nc2c1
InChIInChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-22-16)23-20-24-18-12-15(25(26)27)8-9-19(18)28-20/h1-10,12,17H,11H2,(H,23,24)
InChIKeyYJECZOMEQLVBBG-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine

N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine (PubChem CID 10339604) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine
PubChem CID10339604
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC NameN-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine
SMILESO=[N+]([O-])c1ccc2oc(NC(Cc3ccc(F)cc3)c3ccccn3)nc2c1
InChIInChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-22-16)23-20-24-18-12-15(25(26)27)8-9-19(18)28-20/h1-10,12,17H,11H2,(H,23,24)
InChIKeyYJECZOMEQLVBBG-UHFFFAOYSA-N
XLogP4.67
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ontazolast
CID 71458
VU0366058
CID 57328392
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
2-(1,3-Benzoxazol-2-ylamino)-4-phenyl-5-pyrimidinecarbonitrile
CID 757689
2-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 659778
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
2,3,4,5,6-pentafluoro-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2200224
2-(1,3-Benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one
CID 6460315
Ethyl 2-[[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]amino]-1,3-benzoxazole-5-carboxylate
CID 9978600
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine (CID 10339604) is N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine is O=[N+]([O-])c1ccc2oc(NC(Cc3ccc(F)cc3)c3ccccn3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine?
The InChIKey is YJECZOMEQLVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-22-16)23-20-24-18-12-15(25(26)27)8-9-19(18)28-20/h1-10,12,17H,11H2,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine?
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine has a molecular weight of 378.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10339604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).