(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

C16H24N4O2 — CID 134700093

About (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 134700093) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
• PubChem CID: 134700093
• Molecular Formula: C16H24N4O2
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.19
• IUPAC Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
• SMILES: CCc1nc(CN2C[C@@H](Cc3cc(C)no3)[C@@H](O)C2)c(C)[nH]1
• InChI: InChI=1S/C16H24N4O2/c1-4-16-17-11(3)14(18-16)8-20-7-12(15(21)9-20)6-13-5-10(2)19-22-13/h5,12,15,21H,4,6-9H2,1-3H3,(H,17,18)/t12-,15+/m1/s1
• InChIKey: XKJZIGKJDLEUTD-DOMZBBRYSA-N
• XLogP: 1.61
• TPSA: 78.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The IUPAC name of (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (CID 134700093) is (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The canonical SMILES for (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is CCc1nc(CN2C[C@@H](Cc3cc(C)no3)[C@@H](O)C2)c(C)[nH]1.

What is the InChIKey of (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The InChIKey is XKJZIGKJDLEUTD-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-16-17-11(3)14(18-16)8-20-7-12(15(21)9-20)6-13-5-10(2)19-22-13/h5,12,15,21H,4,6-9H2,1-3H3,(H,17,18)/t12-,15+/m1/s1.

What are the key properties of (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 304.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134700093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).