1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C17H20N6O2 — CID 86799814

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(CC(C)NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-10(8-15-9-11(2)20-22-15)18-17(24)19-14-6-4-13(5-7-14)16-23-21-12(3)25-16/h4-7,9-10H,8H2,1-3H3,(H,20,22)(H2,18,19,24)
InChIKeyZZNQYVCJLWKHFI-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 86799814) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID86799814
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(CC(C)NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-10(8-15-9-11(2)20-22-15)18-17(24)19-14-6-4-13(5-7-14)16-23-21-12(3)25-16/h4-7,9-10H,8H2,1-3H3,(H,20,22)(H2,18,19,24)
InChIKeyZZNQYVCJLWKHFI-UHFFFAOYSA-N
XLogP2.83
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 86799814) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(CC(C)NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)n[nH]1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is ZZNQYVCJLWKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(8-15-9-11(2)20-22-15)18-17(24)19-14-6-4-13(5-7-14)16-23-21-12(3)25-16/h4-7,9-10H,8H2,1-3H3,(H,20,22)(H2,18,19,24).
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 86799814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).