1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea

C15H21N3O3 — CID 57076895

IUPAC1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea
SMILESCC(C)c1ccc(C2=C(C(C)N(O)C(N)=O)CON2)cc1
InChIInChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)14-13(8-21-17-14)10(3)18(20)15(16)19/h4-7,9-10,17,20H,8H2,1-3H3,(H2,16,19)
InChIKeyPFWJURZGGJOGOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.21
Rot. Bonds4

About 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea

1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea (PubChem CID 57076895) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea
PubChem CID57076895
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea
SMILESCC(C)c1ccc(C2=C(C(C)N(O)C(N)=O)CON2)cc1
InChIInChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)14-13(8-21-17-14)10(3)18(20)15(16)19/h4-7,9-10,17,20H,8H2,1-3H3,(H2,16,19)
InChIKeyPFWJURZGGJOGOT-UHFFFAOYSA-N
XLogP2.21
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea (CID 57076895) is 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea is CC(C)c1ccc(C2=C(C(C)N(O)C(N)=O)CON2)cc1.
What is the InChIKey of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea?
The InChIKey is PFWJURZGGJOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)14-13(8-21-17-14)10(3)18(20)15(16)19/h4-7,9-10,17,20H,8H2,1-3H3,(H2,16,19).
What are the key properties of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea?
1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea has a molecular weight of 291.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-4-yl]ethyl]urea is sourced from PubChem (CID 57076895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).