1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C16H21N3O3 — CID 97062858

IUPAC1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCCc1onc(C)c1NC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-3-14-15(11(2)19-22-14)18-16(21)17-13(10-20)9-12-7-5-4-6-8-12/h4-8,13,20H,3,9-10H2,1-2H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyIILKFGRZDUBEHO-ZDUSSCGKSA-N
MW303.36 g/mol
LogP2.27
Rot. Bonds6

About 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 97062858) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID97062858
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCCc1onc(C)c1NC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-3-14-15(11(2)19-22-14)18-16(21)17-13(10-20)9-12-7-5-4-6-8-12/h4-8,13,20H,3,9-10H2,1-2H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyIILKFGRZDUBEHO-ZDUSSCGKSA-N
XLogP2.27
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111108502
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702199
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
CID 124845688
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 97062858) is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is CCc1onc(C)c1NC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is IILKFGRZDUBEHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-14-15(11(2)19-22-14)18-16(21)17-13(10-20)9-12-7-5-4-6-8-12/h4-8,13,20H,3,9-10H2,1-2H3,(H2,17,18,21)/t13-/m0/s1.
What are the key properties of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 303.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 97062858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).