1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C17H25N5O4 — CID 128967384

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 128967384) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 128967384
• Molecular Formula: C17H25N5O4
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.19
• IUPAC Name: 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: Cc1cc(CNC(=O)NC(c2nc(C(C)C)no2)C2CCOCC2)on1
• InChI: InChI=1S/C17H25N5O4/c1-10(2)15-20-16(26-22-15)14(12-4-6-24-7-5-12)19-17(23)18-9-13-8-11(3)21-25-13/h8,10,12,14H,4-7,9H2,1-3H3,(H2,18,19,23)
• InChIKey: KIYABDSTLCRXSD-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 115.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 128967384) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1cc(CNC(=O)NC(c2nc(C(C)C)no2)C2CCOCC2)on1.

What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The InChIKey is KIYABDSTLCRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-10(2)15-20-16(26-22-15)14(12-4-6-24-7-5-12)19-17(23)18-9-13-8-11(3)21-25-13/h8,10,12,14H,4-7,9H2,1-3H3,(H2,18,19,23).

What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 363.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 128967384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).