1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C14H17N3O3 — CID 108812798

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O3/c1-14(2,9-18)16-13(19)15-12-8-11(20-17-12)10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3,(H2,15,16,17,19)
InChIKeySOKDNULVTJDCHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812798) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812798
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O3/c1-14(2,9-18)16-13(19)15-12-8-11(20-17-12)10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3,(H2,15,16,17,19)
InChIKeySOKDNULVTJDCHZ-UHFFFAOYSA-N
XLogP2.23
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
4-methylsulfanyl-2-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]butanoic acid
CID 108812567
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 110000783
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812798) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is CC(C)(CO)NC(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is SOKDNULVTJDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,9-18)16-13(19)15-12-8-11(20-17-12)10-6-4-3-5-7-10/h3-8,18H,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).