1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C15H19N3O3 — CID 111450269

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCc1nc(NC(=O)N[C@H](CCO)c2ccccc2)oc1C
InChIInChI=1S/C15H19N3O3/c1-10-11(2)21-15(16-10)18-14(20)17-13(8-9-19)12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H2,16,17,18,20)/t13-/m1/s1
InChIKeyPRSDHDZWYASBFK-CYBMUJFWSA-N
MW289.34 g/mol
LogP2.54
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111450269) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111450269
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCc1nc(NC(=O)N[C@H](CCO)c2ccccc2)oc1C
InChIInChI=1S/C15H19N3O3/c1-10-11(2)21-15(16-10)18-14(20)17-13(8-9-19)12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H2,16,17,18,20)/t13-/m1/s1
InChIKeyPRSDHDZWYASBFK-CYBMUJFWSA-N
XLogP2.54
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111450269) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is Cc1nc(NC(=O)N[C@H](CCO)c2ccccc2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is PRSDHDZWYASBFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-11(2)21-15(16-10)18-14(20)17-13(8-9-19)12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H2,16,17,18,20)/t13-/m1/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 289.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111450269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).