[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C24H26N4O3 — CID 90503914

About [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90503914) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
• PubChem CID: 90503914
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
• SMILES: COc1cccc(-c2cc(C3(C(=O)N4CCN(Cc5ccncc5)CC4)CC3)no2)c1
• InChI: InChI=1S/C24H26N4O3/c1-30-20-4-2-3-19(15-20)21-16-22(26-31-21)24(7-8-24)23(29)28-13-11-27(12-14-28)17-18-5-9-25-10-6-18/h2-6,9-10,15-16H,7-8,11-14,17H2,1H3
• InChIKey: NATVIFOIQBJUGJ-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?

The IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 90503914) is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

What is the SMILES notation for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?

The canonical SMILES for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is COc1cccc(-c2cc(C3(C(=O)N4CCN(Cc5ccncc5)CC4)CC3)no2)c1.

What is the InChIKey of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?

The InChIKey is NATVIFOIQBJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-20-4-2-3-19(15-20)21-16-22(26-31-21)24(7-8-24)23(29)28-13-11-27(12-14-28)17-18-5-9-25-10-6-18/h2-6,9-10,15-16H,7-8,11-14,17H2,1H3.

What are the key properties of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90503914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).