1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea

C13H14FN3O3 — CID 57171016

IUPAC1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
SMILESNC(=O)N(O)[C@H]1C=CC(NOCc2ccc(F)cc2)=C1
InChIInChI=1S/C13H14FN3O3/c14-10-3-1-9(2-4-10)8-20-16-11-5-6-12(7-11)17(19)13(15)18/h1-7,12,16,19H,8H2,(H2,15,18)/t12-/m0/s1
InChIKeyDFZVHRNOEQQVPI-LBPRGKRZSA-N
MW279.27 g/mol
LogP1.44
Rot. Bonds5

About 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea

1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea (PubChem CID 57171016) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
PubChem CID57171016
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
SMILESNC(=O)N(O)[C@H]1C=CC(NOCc2ccc(F)cc2)=C1
InChIInChI=1S/C13H14FN3O3/c14-10-3-1-9(2-4-10)8-20-16-11-5-6-12(7-11)17(19)13(15)18/h1-7,12,16,19H,8H2,(H2,15,18)/t12-/m0/s1
InChIKeyDFZVHRNOEQQVPI-LBPRGKRZSA-N
XLogP1.44
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.44
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'}

Analyze 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
CID 99821870
1-[(1R)-4-[(4-fluorophenyl)methoxyimino]cyclopent-2-en-1-yl]-1-hydroxyurea
CID 53706501
1-[[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 57240534
1-[(1R,4Z)-4-[(4-fluorophenyl)methoxyimino]cyclopent-2-en-1-yl]-1-hydroxyurea
CID 88310325
5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
CID 91471062
1-Ethyl-1-phenylmethoxyurea
CID 134896719
1-Phenylmethoxy-1-propylurea
CID 134896734
1-Phenylmethoxy-1-propan-2-ylurea
CID 134896768
1-Propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]urea
CID 99714790
1-[(4-Fluorophenyl)methoxy]-3-(2-methoxyethyl)urea
CID 99821869
1-Phenylmethoxy-3-(2,2,2-trifluoroethyl)urea
CID 115582842
1-[(4-Fluorophenyl)methoxy]-3-propan-2-ylurea
CID 154752561

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea?
The IUPAC name of 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea (CID 57171016) is 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea?
The canonical SMILES for 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea is NC(=O)N(O)[C@H]1C=CC(NOCc2ccc(F)cc2)=C1.
What is the InChIKey of 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea?
The InChIKey is DFZVHRNOEQQVPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-10-3-1-9(2-4-10)8-20-16-11-5-6-12(7-11)17(19)13(15)18/h1-7,12,16,19H,8H2,(H2,15,18)/t12-/m0/s1.
What are the key properties of 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea?
1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea has a molecular weight of 279.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea is sourced from PubChem (CID 57171016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).