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

C17H23N3O3 — CID 111108502

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCc1noc(C)c1CCNC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H23N3O3/c1-12-16(13(2)23-20-12)8-9-18-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-7,15,21H,8-11H2,1-2H3,(H2,18,19,22)
InChIKeyBRGZATGRVHSPHQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds7

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

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 111108502) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID111108502
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCc1noc(C)c1CCNC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H23N3O3/c1-12-16(13(2)23-20-12)8-9-18-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-7,15,21H,8-11H2,1-2H3,(H2,18,19,22)
InChIKeyBRGZATGRVHSPHQ-UHFFFAOYSA-N
XLogP1.74
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
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-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97062858
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110924433
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
2-benzyl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,1-dimethylguanidine
CID 111806680
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 111108502) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is Cc1noc(C)c1CCNC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is BRGZATGRVHSPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-16(13(2)23-20-12)8-9-18-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-7,15,21H,8-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 317.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 111108502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).