2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one

C27H30N6O4 — CID 44528134

IUPAC2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one
SMILESCCn1c(-c2cc(C)on2)nc2cnc(Oc3ccc(C(=O)N4CC(=O)N(C)C4C(C)(C)C)cc3)cc21
InChIInChI=1S/C27H30N6O4/c1-7-32-21-13-22(28-14-20(21)29-24(32)19-12-16(2)37-30-19)36-18-10-8-17(9-11-18)25(35)33-15-23(34)31(6)26(33)27(3,4)5/h8-14,26H,7,15H2,1-6H3
InChIKeyMJWFWLGORSMMTC-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.49
Rot. Bonds5

About 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one

2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one (PubChem CID 44528134) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one
PubChem CID44528134
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Name2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one
SMILESCCn1c(-c2cc(C)on2)nc2cnc(Oc3ccc(C(=O)N4CC(=O)N(C)C4C(C)(C)C)cc3)cc21
InChIInChI=1S/C27H30N6O4/c1-7-32-21-13-22(28-14-20(21)29-24(32)19-12-16(2)37-30-19)36-18-10-8-17(9-11-18)25(35)33-15-23(34)31(6)26(33)27(3,4)5/h8-14,26H,7,15H2,1-6H3
InChIKeyMJWFWLGORSMMTC-UHFFFAOYSA-N
XLogP4.49
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one (CID 44528134) is 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one is CCn1c(-c2cc(C)on2)nc2cnc(Oc3ccc(C(=O)N4CC(=O)N(C)C4C(C)(C)C)cc3)cc21.
What is the InChIKey of 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one?
The InChIKey is MJWFWLGORSMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-7-32-21-13-22(28-14-20(21)29-24(32)19-12-16(2)37-30-19)36-18-10-8-17(9-11-18)25(35)33-15-23(34)31(6)26(33)27(3,4)5/h8-14,26H,7,15H2,1-6H3.
What are the key properties of 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one?
2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one has a molecular weight of 502.58 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[4-[1-ethyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 44528134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).