N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide

C25H27N3O3 — CID 91316059

IUPACN-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESCc1oc(-c2ccccc2)nc1CCN1CCC[C@H]1c1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C25H27N3O3/c1-18-22(26-25(31-18)21-6-3-2-4-7-21)15-17-28-16-5-8-23(28)20-12-9-19(10-13-20)11-14-24(29)27-30/h2-4,6-7,9-14,23,30H,5,8,15-17H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyPNJHBKIVTQZFBP-QHCPKHFHSA-N
MW417.51 g/mol
LogP4.55
Rot. Bonds7

About N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide

N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide (PubChem CID 91316059) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
PubChem CID91316059
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESCc1oc(-c2ccccc2)nc1CCN1CCC[C@H]1c1ccc(C=CC(=O)NO)cc1
InChIInChI=1S/C25H27N3O3/c1-18-22(26-25(31-18)21-6-3-2-4-7-21)15-17-28-16-5-8-23(28)20-12-9-19(10-13-20)11-14-24(29)27-30/h2-4,6-7,9-14,23,30H,5,8,15-17H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyPNJHBKIVTQZFBP-QHCPKHFHSA-N
XLogP4.55
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74959589
3-[4-[1-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728706
(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
CID 141249488
(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 58367591
N-hydroxy-3-[4-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960087
3-[4-[(2S)-1-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91470771
3-[4-[1-[2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 74960086
N-hydroxy-3-[4-[1-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960084
(E)-3-[4-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290655
3-[4-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91597326
3-[4-[(2S)-1-[2-(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91355569
3-[4-[1-[2-(2-tert-butyltetrazol-5-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728718

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide (CID 91316059) is N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide is Cc1oc(-c2ccccc2)nc1CCN1CCC[C@H]1c1ccc(C=CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
The InChIKey is PNJHBKIVTQZFBP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-22(26-25(31-18)21-6-3-2-4-7-21)15-17-28-16-5-8-23(28)20-12-9-19(10-13-20)11-14-24(29)27-30/h2-4,6-7,9-14,23,30H,5,8,15-17H2,1H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide has a molecular weight of 417.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 91316059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).