1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

C15H20N4O3 — CID 110933057

IUPAC1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCC(CO)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C15H20N4O3/c1-9(2)13-18-14(22-19-13)11-4-6-12(7-5-11)17-15(21)16-10(3)8-20/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17,21)
InChIKeyDAIZPHHSVRLRBG-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.36
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea (PubChem CID 110933057) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
PubChem CID110933057
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCC(CO)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C15H20N4O3/c1-9(2)13-18-14(22-19-13)11-4-6-12(7-5-11)17-15(21)16-10(3)8-20/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17,21)
InChIKeyDAIZPHHSVRLRBG-UHFFFAOYSA-N
XLogP2.36
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea (CID 110933057) is 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea is CC(CO)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The InChIKey is DAIZPHHSVRLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)13-18-14(22-19-13)11-4-6-12(7-5-11)17-15(21)16-10(3)8-20/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea has a molecular weight of 304.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea is sourced from PubChem (CID 110933057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).