N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine

C16H11FN6O — CID 139441371

IUPACN-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESFc1ccc(Nc2ncc(-c3cccc(-c4nn[nH]n4)c3)o2)cc1
InChIInChI=1S/C16H11FN6O/c17-12-4-6-13(7-5-12)19-16-18-9-14(24-16)10-2-1-3-11(8-10)15-20-22-23-21-15/h1-9H,(H,18,19)(H,20,21,22,23)
InChIKeyDLYHSLZRUVRAPH-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.40
Rot. Bonds4

About N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine

N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine (PubChem CID 139441371) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine
PubChem CID139441371
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC NameN-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESFc1ccc(Nc2ncc(-c3cccc(-c4nn[nH]n4)c3)o2)cc1
InChIInChI=1S/C16H11FN6O/c17-12-4-6-13(7-5-12)19-16-18-9-14(24-16)10-2-1-3-11(8-10)15-20-22-23-21-15/h1-9H,(H,18,19)(H,20,21,22,23)
InChIKeyDLYHSLZRUVRAPH-UHFFFAOYSA-N
XLogP3.40
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine (CID 139441371) is N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine is Fc1ccc(Nc2ncc(-c3cccc(-c4nn[nH]n4)c3)o2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The InChIKey is DLYHSLZRUVRAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-4-6-13(7-5-12)19-16-18-9-14(24-16)10-2-1-3-11(8-10)15-20-22-23-21-15/h1-9H,(H,18,19)(H,20,21,22,23).
What are the key properties of N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine?
N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 322.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 139441371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).