1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea

C17H25N3O3 — CID 138013413

IUPAC1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
SMILESCC(C)c1nc2cc(NC(=O)N(CCCO)C(C)C)ccc2o1
InChIInChI=1S/C17H25N3O3/c1-11(2)16-19-14-10-13(6-7-15(14)23-16)18-17(22)20(12(3)4)8-5-9-21/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,18,22)
InChIKeyRUFLHSHOIBVQRM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.58
Rot. Bonds6

About 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea

1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea (PubChem CID 138013413) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
PubChem CID138013413
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
SMILESCC(C)c1nc2cc(NC(=O)N(CCCO)C(C)C)ccc2o1
InChIInChI=1S/C17H25N3O3/c1-11(2)16-19-14-10-13(6-7-15(14)23-16)18-17(22)20(12(3)4)8-5-9-21/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,18,22)
InChIKeyRUFLHSHOIBVQRM-UHFFFAOYSA-N
XLogP3.58
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea (CID 138013413) is 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea is CC(C)c1nc2cc(NC(=O)N(CCCO)C(C)C)ccc2o1.
What is the InChIKey of 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
The InChIKey is RUFLHSHOIBVQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)16-19-14-10-13(6-7-15(14)23-16)18-17(22)20(12(3)4)8-5-9-21/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,18,22).
What are the key properties of 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea?
1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea has a molecular weight of 319.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 138013413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).