N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline

C16H18FN5O — CID 71922371

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline
SMILESCC(C)(C)c1nnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C16H18FN5O/c1-16(2,3)15-21-20-13(23-15)10-18-14-11(17)6-4-7-12(14)22-9-5-8-19-22/h4-9,18H,10H2,1-3H3
InChIKeyHKDSRCRZWZVDQN-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.30
Rot. Bonds4

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline (PubChem CID 71922371) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline
PubChem CID71922371
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline
SMILESCC(C)(C)c1nnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C16H18FN5O/c1-16(2,3)15-21-20-13(23-15)10-18-14-11(17)6-4-7-12(14)22-9-5-8-19-22/h4-9,18H,10H2,1-3H3
InChIKeyHKDSRCRZWZVDQN-UHFFFAOYSA-N
XLogP3.30
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline (CID 71922371) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline is CC(C)(C)c1nnc(CNc2c(F)cccc2-n2cccn2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline?
The InChIKey is HKDSRCRZWZVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-16(2,3)15-21-20-13(23-15)10-18-14-11(17)6-4-7-12(14)22-9-5-8-19-22/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline has a molecular weight of 315.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoro-6-pyrazol-1-ylaniline is sourced from PubChem (CID 71922371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).