(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one

C16H14N4O3 — CID 11335875

IUPAC(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](O)[C@H]2c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C16H14N4O3/c1-23-13-8-6-12(7-9-13)20-14(15(21)16(20)22)10-2-4-11(5-3-10)18-19-17/h2-9,14-15,21H,1H3/t14-,15+/m1/s1
InChIKeyQFANBCWIBNEPSI-CABCVRRESA-N
MW310.31 g/mol
LogP3.09
Rot. Bonds4

About (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one

(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 11335875) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID11335875
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](O)[C@H]2c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C16H14N4O3/c1-23-13-8-6-12(7-9-13)20-14(15(21)16(20)22)10-2-4-11(5-3-10)18-19-17/h2-9,14-15,21H,1H3/t14-,15+/m1/s1
InChIKeyQFANBCWIBNEPSI-CABCVRRESA-N
XLogP3.09
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one 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

(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one (CID 11335875) is (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@@H](O)[C@H]2c2ccc(N=[N+]=[N-])cc2)cc1.
What is the InChIKey of (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is QFANBCWIBNEPSI-CABCVRRESA-N. The full InChI is InChI=1S/C16H14N4O3/c1-23-13-8-6-12(7-9-13)20-14(15(21)16(20)22)10-2-4-11(5-3-10)18-19-17/h2-9,14-15,21H,1H3/t14-,15+/m1/s1.
What are the key properties of (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
(3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 310.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-azidophenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 11335875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).