(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide

C19H24N4O4 — CID 56959968

IUPAC(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)c1noc(CCNC(=O)[C@@]2(O)CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C19H24N4O4/c1-18(2,3)15-21-14(27-22-15)9-11-20-16(24)19(26)10-12-23(17(19)25)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1
InChIKeyYDDYTTMWANNJKV-IBGZPJMESA-N
MW372.43 g/mol
LogP1.19
Rot. Bonds5

About (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56959968) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56959968
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)c1noc(CCNC(=O)[C@@]2(O)CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C19H24N4O4/c1-18(2,3)15-21-14(27-22-15)9-11-20-16(24)19(26)10-12-23(17(19)25)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1
InChIKeyYDDYTTMWANNJKV-IBGZPJMESA-N
XLogP1.19
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56959968) is (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)(C)c1noc(CCNC(=O)[C@@]2(O)CCN(c3ccccc3)C2=O)n1.
What is the InChIKey of (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YDDYTTMWANNJKV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O4/c1-18(2,3)15-21-14(27-22-15)9-11-20-16(24)19(26)10-12-23(17(19)25)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56959968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).