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

C14H24N4O3 — CID 111631282

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCCC1CO)c1noc(C)n1
InChIInChI=1S/C14H24N4O3/c1-3-11(13-15-9(2)21-18-13)16-14(20)17-12-7-5-4-6-10(12)8-19/h10-12,19H,3-8H2,1-2H3,(H2,16,17,20)
InChIKeyDNIQKKLANABHKR-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.68
Rot. Bonds5

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

1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 111631282) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID111631282
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCCC1CO)c1noc(C)n1
InChIInChI=1S/C14H24N4O3/c1-3-11(13-15-9(2)21-18-13)16-14(20)17-12-7-5-4-6-10(12)8-19/h10-12,19H,3-8H2,1-2H3,(H2,16,17,20)
InChIKeyDNIQKKLANABHKR-UHFFFAOYSA-N
XLogP1.68
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclohexyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]propan-1-ol
CID 72002674
2-Cyclohexyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]propan-1-ol
CID 72002676
4-Methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 86797542
[2-[(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]methanol
CID 86801084
1-[[3-(1-Amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methylpentan-2-yl)urea
CID 166862818
1-[[3-(Aminomethyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethyl]-3-(3-hydroxybutan-2-yl)urea
CID 167150171
2-{[(3-Cyclohexyl-1,2,4-oxadiazol-5-YL)methyl]amino}propan-1-OL
CID 50965792
1-(4-Hydroxycyclohexyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 60285440
N-[(2-hydroxycyclohexyl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64927726
N-[(2-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64928519
[1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methylamino]-3,3,5-trimethylcyclohexyl]methanol
CID 71862703
1-[1-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 71924945

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 111631282) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NC1CCCCC1CO)c1noc(C)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is DNIQKKLANABHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-11(13-15-9(2)21-18-13)16-14(20)17-12-7-5-4-6-10(12)8-19/h10-12,19H,3-8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 111631282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).