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

C16H20FN3O3 — CID 111108369

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1noc(C)c1CCNC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c1-10-14(11(2)23-20-10)7-8-18-16(22)19-9-15(21)12-3-5-13(17)6-4-12/h3-6,15,21H,7-9H2,1-2H3,(H2,18,19,22)
InChIKeyQZZJQYLXCJJHMA-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.01
Rot. Bonds6

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

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111108369) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID111108369
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1noc(C)c1CCNC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c1-10-14(11(2)23-20-10)7-8-18-16(22)19-9-15(21)12-3-5-13(17)6-4-12/h3-6,15,21H,7-9H2,1-2H3,(H2,18,19,22)
InChIKeyQZZJQYLXCJJHMA-UHFFFAOYSA-N
XLogP2.01
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 110921864
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111564
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 78866804
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2S)-2-thiophen-3-ylpropyl]urea
CID 97030505
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94179653
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 111108369) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is Cc1noc(C)c1CCNC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is QZZJQYLXCJJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-10-14(11(2)23-20-10)7-8-18-16(22)19-9-15(21)12-3-5-13(17)6-4-12/h3-6,15,21H,7-9H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 321.35 g/mol, XLogP of 2.01, 6 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-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111108369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).