1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

C17H26N6O2 — CID 95960904

IUPAC1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1cnn(C)c1
InChIInChI=1S/C17H26N6O2/c1-11(14-9-18-23(3)10-14)19-17(24)20-12(2)16-21-15(22-25-16)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H2,19,20,24)/t11-,12-/m0/s1
InChIKeyUOKRYZLZLDBBSR-RYUDHWBXSA-N
MW346.44 g/mol
LogP2.97
Rot. Bonds5

About 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 95960904) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID95960904
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1cnn(C)c1
InChIInChI=1S/C17H26N6O2/c1-11(14-9-18-23(3)10-14)19-17(24)20-12(2)16-21-15(22-25-16)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H2,19,20,24)/t11-,12-/m0/s1
InChIKeyUOKRYZLZLDBBSR-RYUDHWBXSA-N
XLogP2.97
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 95960904) is 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is C[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1cnn(C)c1.
What is the InChIKey of 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is UOKRYZLZLDBBSR-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(14-9-18-23(3)10-14)19-17(24)20-12(2)16-21-15(22-25-16)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H2,19,20,24)/t11-,12-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 346.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95960904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).