1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea

C22H25N5O2 — CID 177230114

About 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea

1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea (PubChem CID 177230114) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea
• PubChem CID: 177230114
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea
• SMILES: CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)Nc2cccc(C(C)C)n2)no1
• InChI: InChI=1S/C22H25N5O2/c1-4-20-26-21(27-29-20)15-8-10-16-14(12-15)9-11-18(16)24-22(28)25-19-7-5-6-17(23-19)13(2)3/h5-8,10,12-13,18H,4,9,11H2,1-3H3,(H2,23,24,25,28)/t18-/m1/s1
• InChIKey: PCVMFSODGXIMIC-GOSISDBHSA-N
• XLogP: 4.63
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea?

The IUPAC name of 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea (CID 177230114) is 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea.

What is the SMILES notation for 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea?

The canonical SMILES for 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)Nc2cccc(C(C)C)n2)no1.

What is the InChIKey of 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea?

The InChIKey is PCVMFSODGXIMIC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-20-26-21(27-29-20)15-8-10-16-14(12-15)9-11-18(16)24-22(28)25-19-7-5-6-17(23-19)13(2)3/h5-8,10,12-13,18H,4,9,11H2,1-3H3,(H2,23,24,25,28)/t18-/m1/s1.

What are the key properties of 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea?

1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea has a molecular weight of 391.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea is sourced from PubChem (CID 177230114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).