1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C14H23N3O3 — CID 111976377

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)NC(C)(CO)C2CC2)no1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)10-7-11(17-20-10)15-12(19)16-14(4,8-18)9-5-6-9/h7,9,18H,5-6,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyBBUQVOIUYBEBTM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds4

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 111976377) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID111976377
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)NC(C)(CO)C2CC2)no1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)10-7-11(17-20-10)15-12(19)16-14(4,8-18)9-5-6-9/h7,9,18H,5-6,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyBBUQVOIUYBEBTM-UHFFFAOYSA-N
XLogP2.25
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 111976377) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is CC(C)(C)c1cc(NC(=O)NC(C)(CO)C2CC2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is BBUQVOIUYBEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2,3)10-7-11(17-20-10)15-12(19)16-14(4,8-18)9-5-6-9/h7,9,18H,5-6,8H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).