1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C16H28N4O3 — CID 111722412

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)NCC2(C)CCCCC2O)n1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-19-13(23-20-14)7-9-17-15(22)18-10-16(3)8-5-4-6-12(16)21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyQNEMHMXXMCFOGS-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.98
Rot. Bonds6

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 111722412) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID111722412
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)NCC2(C)CCCCC2O)n1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-19-13(23-20-14)7-9-17-15(22)18-10-16(3)8-5-4-6-12(16)21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyQNEMHMXXMCFOGS-UHFFFAOYSA-N
XLogP1.98
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111505618
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95260702
1-[1-(oxolan-2-yl)ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785680
N,N-dimethyl-1-[[[N'-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111981865
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722411
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785681
1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 138047569
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111564

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 111722412) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CC(C)c1noc(CCNC(=O)NCC2(C)CCCCC2O)n1.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is QNEMHMXXMCFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)14-19-13(23-20-14)7-9-17-15(22)18-10-16(3)8-5-4-6-12(16)21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 324.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 111722412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).