1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea

C15H21N3O2 — CID 47465250

IUPAC1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea
SMILESC#CCN(C(=O)Nc1nc(C)c(C)o1)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c1-4-10-18(13-8-6-5-7-9-13)15(19)17-14-16-11(2)12(3)20-14/h1,13H,5-10H2,2-3H3,(H,16,17,19)
InChIKeyOHKVFDHDMHAACX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.09
Rot. Bonds3

About 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea

1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea (PubChem CID 47465250) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea
PubChem CID47465250
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea
SMILESC#CCN(C(=O)Nc1nc(C)c(C)o1)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c1-4-10-18(13-8-6-5-7-9-13)15(19)17-14-16-11(2)12(3)20-14/h1,13H,5-10H2,2-3H3,(H,16,17,19)
InChIKeyOHKVFDHDMHAACX-UHFFFAOYSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea?
The IUPAC name of 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea (CID 47465250) is 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea?
The canonical SMILES for 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea is C#CCN(C(=O)Nc1nc(C)c(C)o1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea?
The InChIKey is OHKVFDHDMHAACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10-18(13-8-6-5-7-9-13)15(19)17-14-16-11(2)12(3)20-14/h1,13H,5-10H2,2-3H3,(H,16,17,19).
What are the key properties of 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea?
1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea has a molecular weight of 275.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-prop-2-ynylurea is sourced from PubChem (CID 47465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).