N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C21H21N5O4 — CID 24642473

IUPACN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)c2cnc3onc(C(C)C)c3c2)C1=O
InChIInChI=1S/C21H21N5O4/c1-4-21(14-8-6-5-7-9-14)19(28)26(20(29)23-21)24-17(27)13-10-15-16(12(2)3)25-30-18(15)22-11-13/h5-12H,4H2,1-3H3,(H,23,29)(H,24,27)
InChIKeyKBLHRPVXVAFOJZ-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.85
Rot. Bonds5

About N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 24642473) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID24642473
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)c2cnc3onc(C(C)C)c3c2)C1=O
InChIInChI=1S/C21H21N5O4/c1-4-21(14-8-6-5-7-9-14)19(28)26(20(29)23-21)24-17(27)13-10-15-16(12(2)3)25-30-18(15)22-11-13/h5-12H,4H2,1-3H3,(H,23,29)(H,24,27)
InChIKeyKBLHRPVXVAFOJZ-UHFFFAOYSA-N
XLogP2.85
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 24642473) is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)c2cnc3onc(C(C)C)c3c2)C1=O.
What is the InChIKey of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KBLHRPVXVAFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-4-21(14-8-6-5-7-9-14)19(28)26(20(29)23-21)24-17(27)13-10-15-16(12(2)3)25-30-18(15)22-11-13/h5-12H,4H2,1-3H3,(H,23,29)(H,24,27).
What are the key properties of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24642473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).