[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone

C20H30N4O3 — CID 164639628

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC[C@@H]2CCc2ncc(C)n2C(C)C)noc1C
InChIInChI=1S/C20H30N4O3/c1-13(2)24-14(3)11-21-18(24)9-8-16-7-6-10-23(16)20(25)19-17(12-26-5)15(4)27-22-19/h11,13,16H,6-10,12H2,1-5H3/t16-/m1/s1
InChIKeyLQKMBJDORFZFDM-MRXNPFEDSA-N
MW374.49 g/mol
LogP3.45
Rot. Bonds7

About [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 164639628) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone
PubChem CID164639628
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC[C@@H]2CCc2ncc(C)n2C(C)C)noc1C
InChIInChI=1S/C20H30N4O3/c1-13(2)24-14(3)11-21-18(24)9-8-16-7-6-10-23(16)20(25)19-17(12-26-5)15(4)27-22-19/h11,13,16H,6-10,12H2,1-5H3/t16-/m1/s1
InChIKeyLQKMBJDORFZFDM-MRXNPFEDSA-N
XLogP3.45
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone (CID 164639628) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone is COCc1c(C(=O)N2CCC[C@@H]2CCc2ncc(C)n2C(C)C)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is LQKMBJDORFZFDM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)24-14(3)11-21-18(24)9-8-16-7-6-10-23(16)20(25)19-17(12-26-5)15(4)27-22-19/h11,13,16H,6-10,12H2,1-5H3/t16-/m1/s1.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164639628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).