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

C14H24N4O3 — CID 109398796

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)N(C)CC1CCCC1O)c1noc(C)n1
InChIInChI=1S/C14H24N4O3/c1-4-11(13-15-9(2)21-17-13)16-14(20)18(3)8-10-6-5-7-12(10)19/h10-12,19H,4-8H2,1-3H3,(H,16,20)
InChIKeyYPCMHQCIRLUDOT-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.63
Rot. Bonds5

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 109398796) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID109398796
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)N(C)CC1CCCC1O)c1noc(C)n1
InChIInChI=1S/C14H24N4O3/c1-4-11(13-15-9(2)21-17-13)16-14(20)18(3)8-10-6-5-7-12(10)19/h10-12,19H,4-8H2,1-3H3,(H,16,20)
InChIKeyYPCMHQCIRLUDOT-UHFFFAOYSA-N
XLogP1.63
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110012374
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylbutyl]urea
CID 97326954
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 98874250
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 75378383
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1R)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97242838
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97242045

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 109398796) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)N(C)CC1CCCC1O)c1noc(C)n1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is YPCMHQCIRLUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-11(13-15-9(2)21-17-13)16-14(20)18(3)8-10-6-5-7-12(10)19/h10-12,19H,4-8H2,1-3H3,(H,16,20).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 109398796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).