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

C15H21N3O3 — CID 57039301

IUPAC1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea
SMILESCC(C)c1ccc(C2=CC(C(C)N(O)C(N)=O)ON2)cc1
InChIInChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)13-8-14(21-17-13)10(3)18(20)15(16)19/h4-10,14,17,20H,1-3H3,(H2,16,19)
InChIKeyMKKYHAZFUBYKOP-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-5-yl]ethyl]urea

1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea (PubChem CID 57039301) 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-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea
PubChem CID57039301
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-5-yl]ethyl]urea
SMILESCC(C)c1ccc(C2=CC(C(C)N(O)C(N)=O)ON2)cc1
InChIInChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)13-8-14(21-17-13)10(3)18(20)15(16)19/h4-10,14,17,20H,1-3H3,(H2,16,19)
InChIKeyMKKYHAZFUBYKOP-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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Related Compounds

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CID 144811591
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4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide
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1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
(4-propan-2-ylphenyl) carbamate
CID 57008477
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
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tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea (CID 57039301) is 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea is CC(C)c1ccc(C2=CC(C(C)N(O)C(N)=O)ON2)cc1.
What is the InChIKey of 1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea?
The InChIKey is MKKYHAZFUBYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)11-4-6-12(7-5-11)13-8-14(21-17-13)10(3)18(20)15(16)19/h4-10,14,17,20H,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-5-yl]ethyl]urea?
1-hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-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-5-yl]ethyl]urea is sourced from PubChem (CID 57039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).