1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea

C17H20N6O2 — CID 47049920

IUPAC1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C17H20N6O2/c1-10(2)23-12(4)15(11(3)22-23)20-17(24)19-14-7-5-6-13(8-14)16-21-18-9-25-16/h5-10H,1-4H3,(H2,19,20,24)
InChIKeyWVIXUGCCXLOHEU-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea

1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 47049920) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID47049920
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C17H20N6O2/c1-10(2)23-12(4)15(11(3)22-23)20-17(24)19-14-7-5-6-13(8-14)16-21-18-9-25-16/h5-10H,1-4H3,(H2,19,20,24)
InChIKeyWVIXUGCCXLOHEU-UHFFFAOYSA-N
XLogP3.77
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033564
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 47049920) is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is WVIXUGCCXLOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(2)23-12(4)15(11(3)22-23)20-17(24)19-14-7-5-6-13(8-14)16-21-18-9-25-16/h5-10H,1-4H3,(H2,19,20,24).
What are the key properties of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 340.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 47049920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).