1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea

C17H26N6O2 — CID 72845388

IUPAC1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
SMILESCCCn1nc(C)cc1NC(=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C17H26N6O2/c1-3-9-23-14(10-12(2)21-23)19-17(24)18-11-15-20-16(22-25-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19,24)
InChIKeyRKZJTTLBQLPSHX-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.35
Rot. Bonds6

About 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea

1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea (PubChem CID 72845388) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
PubChem CID72845388
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea
SMILESCCCn1nc(C)cc1NC(=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C17H26N6O2/c1-3-9-23-14(10-12(2)21-23)19-17(24)18-11-15-20-16(22-25-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19,24)
InChIKeyRKZJTTLBQLPSHX-UHFFFAOYSA-N
XLogP3.35
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea (CID 72845388) is 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea is CCCn1nc(C)cc1NC(=O)NCc1nc(C2CCCCC2)no1.
What is the InChIKey of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea?
The InChIKey is RKZJTTLBQLPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-9-23-14(10-12(2)21-23)19-17(24)18-11-15-20-16(22-25-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea?
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea has a molecular weight of 346.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methyl-2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 72845388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).