amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate

C22H18FN5O5 — CID 121285496

IUPACamino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate
SMILES[N-]=[N+]=NCC(Oc1ccc(C(=O)C2CC2)cc1)c1coc(-c2ccc(C(=O)ON)c(F)c2)n1
InChIInChI=1S/C22H18FN5O5/c23-17-9-14(5-8-16(17)22(30)33-25)21-27-18(11-31-21)19(10-26-28-24)32-15-6-3-13(4-7-15)20(29)12-1-2-12/h3-9,11-12,19H,1-2,10,25H2
InChIKeyZVRRAXPDQNJYKS-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.53
Rot. Bonds9

About amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate

amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate (PubChem CID 121285496) has the molecular formula C22H18FN5O5 and a molecular weight of 451.41 g/mol. Its IUPAC name is amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate.

Molecular Properties

Compound Nameamino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate
PubChem CID121285496
Molecular FormulaC22H18FN5O5
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Nameamino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate
SMILES[N-]=[N+]=NCC(Oc1ccc(C(=O)C2CC2)cc1)c1coc(-c2ccc(C(=O)ON)c(F)c2)n1
InChIInChI=1S/C22H18FN5O5/c23-17-9-14(5-8-16(17)22(30)33-25)21-27-18(11-31-21)19(10-26-28-24)32-15-6-3-13(4-7-15)20(29)12-1-2-12/h3-9,11-12,19H,1-2,10,25H2
InChIKeyZVRRAXPDQNJYKS-UHFFFAOYSA-N
XLogP4.53
TPSA153.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate 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

4-[4-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 129267648
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide
CID 56959559
methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
CID 118508137
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]benzamide
CID 71493288
tert-butyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoate
CID 118508149
1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
CID 161493482
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2,4-oxadiazol-3-yl]-N-[[(3R,4R)-3,4-dihydroxycyclopentyl]methyl]-2-fluorobenzamide
CID 163537452
N-[(2S)-1-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-1-hydroxypropan-2-yl]-2-fluorobenzamide
CID 141332482
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-fluoro-4-methoxybenzoate
CID 55393598
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-fluoro-4-methoxybenzoate
CID 8837639
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083

Frequently Asked Questions

What is the IUPAC name of amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate?
The IUPAC name of amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate (CID 121285496) is amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate.
What is the SMILES notation for amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate?
The canonical SMILES for amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate is [N-]=[N+]=NCC(Oc1ccc(C(=O)C2CC2)cc1)c1coc(-c2ccc(C(=O)ON)c(F)c2)n1.
What is the InChIKey of amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate?
The InChIKey is ZVRRAXPDQNJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O5/c23-17-9-14(5-8-16(17)22(30)33-25)21-27-18(11-31-21)19(10-26-28-24)32-15-6-3-13(4-7-15)20(29)12-1-2-12/h3-9,11-12,19H,1-2,10,25H2.
What are the key properties of amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate?
amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate has a molecular weight of 451.41 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-[4-[2-azido-1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,3-oxazol-2-yl]-2-fluorobenzoate is sourced from PubChem (CID 121285496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).