N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine

C16H21N5O2 — CID 75505615

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1occc1-c1nnc(NCc2cn(C)nc2C(C)(C)C)o1
InChIInChI=1S/C16H21N5O2/c1-10-12(6-7-22-10)14-18-19-15(23-14)17-8-11-9-21(5)20-13(11)16(2,3)4/h6-7,9H,8H2,1-5H3,(H,17,19)
InChIKeyLFHWRAUIXZXJAL-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.28
Rot. Bonds4

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 75505615) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID75505615
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1occc1-c1nnc(NCc2cn(C)nc2C(C)(C)C)o1
InChIInChI=1S/C16H21N5O2/c1-10-12(6-7-22-10)14-18-19-15(23-14)17-8-11-9-21(5)20-13(11)16(2,3)4/h6-7,9H,8H2,1-5H3,(H,17,19)
InChIKeyLFHWRAUIXZXJAL-UHFFFAOYSA-N
XLogP3.28
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine (CID 75505615) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine is Cc1occc1-c1nnc(NCc2cn(C)nc2C(C)(C)C)o1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LFHWRAUIXZXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-12(6-7-22-10)14-18-19-15(23-14)17-8-11-9-21(5)20-13(11)16(2,3)4/h6-7,9H,8H2,1-5H3,(H,17,19).
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 315.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75505615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).