formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate

C24H21N3O4 — CID 57050331

IUPACformamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate
SMILESCc1cc(C2C=C(c3cccnc3)NO2)ccc1C(C(=O)ONC=O)c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-16-12-18(22-13-21(27-30-22)19-8-5-11-25-14-19)9-10-20(16)23(24(29)31-26-15-28)17-6-3-2-4-7-17/h2-15,22-23,27H,1H3,(H,26,28)
InChIKeyFTAYIVKKDDFBKN-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.34
Rot. Bonds7

About formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate

formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate (PubChem CID 57050331) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate.

Molecular Properties

Compound Nameformamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate
PubChem CID57050331
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Nameformamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate
SMILESCc1cc(C2C=C(c3cccnc3)NO2)ccc1C(C(=O)ONC=O)c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-16-12-18(22-13-21(27-30-22)19-8-5-11-25-14-19)9-10-20(16)23(24(29)31-26-15-28)17-6-3-2-4-7-17/h2-15,22-23,27H,1H3,(H,26,28)
InChIKeyFTAYIVKKDDFBKN-UHFFFAOYSA-N
XLogP3.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate 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

(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91198422
N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 90722641
N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91040675
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
CID 57265822
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
N-[4-(chloro-cyano-phenylmethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91175450
(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
CID 66512915
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
CID 116824877
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415

Frequently Asked Questions

What is the IUPAC name of formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate?
The IUPAC name of formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate (CID 57050331) is formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate.
What is the SMILES notation for formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate?
The canonical SMILES for formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate is Cc1cc(C2C=C(c3cccnc3)NO2)ccc1C(C(=O)ONC=O)c1ccccc1.
What is the InChIKey of formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate?
The InChIKey is FTAYIVKKDDFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-12-18(22-13-21(27-30-22)19-8-5-11-25-14-19)9-10-20(16)23(24(29)31-26-15-28)17-6-3-2-4-7-17/h2-15,22-23,27H,1H3,(H,26,28).
What are the key properties of formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate?
formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate has a molecular weight of 415.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate is sourced from PubChem (CID 57050331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).