1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea

C12H14FN3O3 — CID 57013220

IUPAC1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
SMILESCC(C1C=C(c2ccc(F)cc2)NO1)N(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-7,11,15,18H,1H3,(H2,14,17)
InChIKeyOWBOZLVUFYIQSO-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.23
Rot. Bonds3

About 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea

1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea (PubChem CID 57013220) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
PubChem CID57013220
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
SMILESCC(C1C=C(c2ccc(F)cc2)NO1)N(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-7,11,15,18H,1H3,(H2,14,17)
InChIKeyOWBOZLVUFYIQSO-UHFFFAOYSA-N
XLogP1.23
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
CID 57012206
1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
CID 10684116
1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 57240534
4-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]butanal
CID 91437897
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484150
[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 101050040
2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
CID 122036744
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate
CID 2316969
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556817
1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 6603738
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 55422980

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea (CID 57013220) is 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea is CC(C1C=C(c2ccc(F)cc2)NO1)N(O)C(N)=O.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The InChIKey is OWBOZLVUFYIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-7,11,15,18H,1H3,(H2,14,17).
What are the key properties of 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea has a molecular weight of 267.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea is sourced from PubChem (CID 57013220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).