3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one

C19H29N3O3 — CID 71819826

IUPAC3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCc1oc(C2CCN(C(=O)CC(C)C)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C19H29N3O3/c1-13(2)12-16(23)21-10-6-15(7-11-21)18-20-17(14(3)25-18)19(24)22-8-4-5-9-22/h13,15H,4-12H2,1-3H3
InChIKeyQTAGXKZZZPZUSY-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one

3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 71819826) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID71819826
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCc1oc(C2CCN(C(=O)CC(C)C)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C19H29N3O3/c1-13(2)12-16(23)21-10-6-15(7-11-21)18-20-17(14(3)25-18)19(24)22-8-4-5-9-22/h13,15H,4-12H2,1-3H3
InChIKeyQTAGXKZZZPZUSY-UHFFFAOYSA-N
XLogP2.97
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one (CID 71819826) is 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one is Cc1oc(C2CCN(C(=O)CC(C)C)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is QTAGXKZZZPZUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)12-16(23)21-10-6-15(7-11-21)18-20-17(14(3)25-18)19(24)22-8-4-5-9-22/h13,15H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 347.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 71819826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).