N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide

C24H35N3O2 — CID 24718188

IUPACN-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)C(C)C
InChIInChI=1S/C24H35N3O2/c1-6-19(5)27(23(28)17(2)3)16-21-22(20-10-8-7-9-11-20)25-29-24(21)26-14-12-18(4)13-15-26/h7-11,17-19H,6,12-16H2,1-5H3
InChIKeyNVJAOJAQBWUWSE-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.36
Rot. Bonds7

About N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide

N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide (PubChem CID 24718188) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
PubChem CID24718188
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)C(C)C
InChIInChI=1S/C24H35N3O2/c1-6-19(5)27(23(28)17(2)3)16-21-22(20-10-8-7-9-11-20)25-29-24(21)26-14-12-18(4)13-15-26/h7-11,17-19H,6,12-16H2,1-5H3
InChIKeyNVJAOJAQBWUWSE-UHFFFAOYSA-N
XLogP5.36
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The IUPAC name of N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide (CID 24718188) is N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The canonical SMILES for N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide is CCC(C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)C(C)C.
What is the InChIKey of N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The InChIKey is NVJAOJAQBWUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-6-19(5)27(23(28)17(2)3)16-21-22(20-10-8-7-9-11-20)25-29-24(21)26-14-12-18(4)13-15-26/h7-11,17-19H,6,12-16H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide has a molecular weight of 397.56 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide is sourced from PubChem (CID 24718188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).