3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea

C19H23N5O3 — CID 122558422

About 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea

3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea (PubChem CID 122558422) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
• PubChem CID: 122558422
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
• SMILES: COc1ccc2oc(CNC(=O)N(C)Cc3n[nH]c4c3CCCC4)nc2c1
• InChI: InChI=1S/C19H23N5O3/c1-24(11-16-13-5-3-4-6-14(13)22-23-16)19(25)20-10-18-21-15-9-12(26-2)7-8-17(15)27-18/h7-9H,3-6,10-11H2,1-2H3,(H,20,25)(H,22,23)
• InChIKey: MHQNFMIPDCWJGF-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?

The IUPAC name of 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea (CID 122558422) is 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea.

What is the SMILES notation for 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?

The canonical SMILES for 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea is COc1ccc2oc(CNC(=O)N(C)Cc3n[nH]c4c3CCCC4)nc2c1.

What is the InChIKey of 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?

The InChIKey is MHQNFMIPDCWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-24(11-16-13-5-3-4-6-14(13)22-23-16)19(25)20-10-18-21-15-9-12(26-2)7-8-17(15)27-18/h7-9H,3-6,10-11H2,1-2H3,(H,20,25)(H,22,23).

What are the key properties of 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?

3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea has a molecular weight of 369.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea is sourced from PubChem (CID 122558422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).