3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide

C23H33N3O2 — CID 24718094

IUPAC3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C23H33N3O2/c1-17(2)26(20(27)15-23(3,4)5)16-19-21(18-11-7-6-8-12-18)24-28-22(19)25-13-9-10-14-25/h6-8,11-12,17H,9-10,13-16H2,1-5H3
InChIKeyZARDRBQDSSCKTJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.11
Rot. Bonds6

About 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide

3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 24718094) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID24718094
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C23H33N3O2/c1-17(2)26(20(27)15-23(3,4)5)16-19-21(18-11-7-6-8-12-18)24-28-22(19)25-13-9-10-14-25/h6-8,11-12,17H,9-10,13-16H2,1-5H3
InChIKeyZARDRBQDSSCKTJ-UHFFFAOYSA-N
XLogP5.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide (CID 24718094) is 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide is CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is ZARDRBQDSSCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17(2)26(20(27)15-23(3,4)5)16-19-21(18-11-7-6-8-12-18)24-28-22(19)25-13-9-10-14-25/h6-8,11-12,17H,9-10,13-16H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide?
3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 383.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 24718094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).