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

C21H20N6O2 — CID 166213388

IUPAC1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(-c2nc(-c3ccc(-c4ccn[nH]4)cc3)no2)c1
InChIInChI=1S/C21H20N6O2/c1-13(2)23-21(28)24-17-5-3-4-16(12-17)20-25-19(27-29-20)15-8-6-14(7-9-15)18-10-11-22-26-18/h3-13H,1-2H3,(H,22,26)(H2,23,24,28)
InChIKeyZNVIGSYESZFSIP-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.32
Rot. Bonds5

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

1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea (PubChem CID 166213388) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
PubChem CID166213388
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(-c2nc(-c3ccc(-c4ccn[nH]4)cc3)no2)c1
InChIInChI=1S/C21H20N6O2/c1-13(2)23-21(28)24-17-5-3-4-16(12-17)20-25-19(27-29-20)15-8-6-14(7-9-15)18-10-11-22-26-18/h3-13H,1-2H3,(H,22,26)(H2,23,24,28)
InChIKeyZNVIGSYESZFSIP-UHFFFAOYSA-N
XLogP4.32
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778295
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
1-[3-[5-(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 154861667
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
1-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778320
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea (CID 166213388) is 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea is CC(C)NC(=O)Nc1cccc(-c2nc(-c3ccc(-c4ccn[nH]4)cc3)no2)c1.
What is the InChIKey of 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The InChIKey is ZNVIGSYESZFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13(2)23-21(28)24-17-5-3-4-16(12-17)20-25-19(27-29-20)15-8-6-14(7-9-15)18-10-11-22-26-18/h3-13H,1-2H3,(H,22,26)(H2,23,24,28).
What are the key properties of 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea has a molecular weight of 388.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea is sourced from PubChem (CID 166213388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).