3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C13H21N3O3 — CID 47239276

IUPAC3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCC(O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-9-7-11(15-19-9)8-16(2)13(18)14-10-3-5-12(17)6-4-10/h7,10,12,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyPVWJTHXHIUERIE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.43
Rot. Bonds3

About 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47239276) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47239276
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCC(O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-9-7-11(15-19-9)8-16(2)13(18)14-10-3-5-12(17)6-4-10/h7,10,12,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyPVWJTHXHIUERIE-UHFFFAOYSA-N
XLogP1.43
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47239276) is 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)no1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is PVWJTHXHIUERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-7-11(15-19-9)8-16(2)13(18)14-10-3-5-12(17)6-4-10/h7,10,12,17H,3-6,8H2,1-2H3,(H,14,18).
What are the key properties of 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 267.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47239276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).