N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide

C30H34N4O5 — CID 174474431

About N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide

N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 174474431) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 174474431
• Molecular Formula: C30H34N4O5
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.25
• IUPAC Name: N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
• SMILES: CC[C@@H]1CC(C=O)N(Cc2cccc(NC(=O)c3ccno3)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1
• InChI: InChI=1S/C30H34N4O5/c1-3-21-16-24(19-35)34(18-20-7-6-8-23(15-20)32-30(36)27-13-14-31-39-27)33-29(21)22-11-12-26(37-2)28(17-22)38-25-9-4-5-10-25/h6-8,11-15,17,19,21,24-25H,3-5,9-10,16,18H2,1-2H3,(H,32,36)/t21-,24?/m1/s1
• InChIKey: KYOFAVWOUDMXBT-CILPGNKCSA-N
• XLogP: 5.46
• TPSA: 106.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide (CID 174474431) is N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide is CC[C@@H]1CC(C=O)N(Cc2cccc(NC(=O)c3ccno3)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.

What is the InChIKey of N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?

The InChIKey is KYOFAVWOUDMXBT-CILPGNKCSA-N. The full InChI is InChI=1S/C30H34N4O5/c1-3-21-16-24(19-35)34(18-20-7-6-8-23(15-20)32-30(36)27-13-14-31-39-27)33-29(21)22-11-12-26(37-2)28(17-22)38-25-9-4-5-10-25/h6-8,11-15,17,19,21,24-25H,3-5,9-10,16,18H2,1-2H3,(H,32,36)/t21-,24?/m1/s1.

What are the key properties of N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide?

N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 174474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).