tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate

C27H30N6O5 — CID 166108765

About tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate (PubChem CID 166108765) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate
• PubChem CID: 166108765
• Molecular Formula: C27H30N6O5
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.23
• IUPAC Name: tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate
• SMILES: COc1nc(-c2cn(CCNC(=O)OC(C)(C)C)cn2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
• InChI: InChI=1S/C27H30N6O5/c1-17-22(23(32-38-17)18-9-7-6-8-10-18)24(34)30-20-12-11-19(31-25(20)36-5)21-15-33(16-29-21)14-13-28-26(35)37-27(2,3)4/h6-12,15-16H,13-14H2,1-5H3,(H,28,35)(H,30,34)
• InChIKey: QOOBCHKEDBMYTD-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 133.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate (CID 166108765) is tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate is COc1nc(-c2cn(CCNC(=O)OC(C)(C)C)cn2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.

What is the InChIKey of tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate?

The InChIKey is QOOBCHKEDBMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c1-17-22(23(32-38-17)18-9-7-6-8-10-18)24(34)30-20-12-11-19(31-25(20)36-5)21-15-33(16-29-21)14-13-28-26(35)37-27(2,3)4/h6-12,15-16H,13-14H2,1-5H3,(H,28,35)(H,30,34).

What are the key properties of tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate?

tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate has a molecular weight of 518.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 166108765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).