1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea

C16H26N4O3 — CID 110933429

IUPAC1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(C)C(NC(=O)NC1CCCCC1O)c1nc(C2CC2)no1
InChIInChI=1S/C16H26N4O3/c1-9(2)13(15-19-14(20-23-15)10-7-8-10)18-16(22)17-11-5-3-4-6-12(11)21/h9-13,21H,3-8H2,1-2H3,(H2,17,18,22)
InChIKeyRXYAIDHMNNEPBS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.25
Rot. Bonds5

About 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea

1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933429) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID110933429
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(C)C(NC(=O)NC1CCCCC1O)c1nc(C2CC2)no1
InChIInChI=1S/C16H26N4O3/c1-9(2)13(15-19-14(20-23-15)10-7-8-10)18-16(22)17-11-5-3-4-6-12(11)21/h9-13,21H,3-8H2,1-2H3,(H2,17,18,22)
InChIKeyRXYAIDHMNNEPBS-UHFFFAOYSA-N
XLogP2.25
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea (CID 110933429) is 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea is CC(C)C(NC(=O)NC1CCCCC1O)c1nc(C2CC2)no1.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is RXYAIDHMNNEPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-9(2)13(15-19-14(20-23-15)10-7-8-10)18-16(22)17-11-5-3-4-6-12(11)21/h9-13,21H,3-8H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea?
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 322.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).