4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C19H27N3O3 — CID 24542983

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(NC(=O)CCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-14(2)21-12-9-15(10-13-21)20-18(23)8-5-11-22-16-6-3-4-7-17(16)25-19(22)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyYJDRYPSNSCYESR-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.36
Rot. Bonds6

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 24542983) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID24542983
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(NC(=O)CCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-14(2)21-12-9-15(10-13-21)20-18(23)8-5-11-22-16-6-3-4-7-17(16)25-19(22)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyYJDRYPSNSCYESR-UHFFFAOYSA-N
XLogP2.36
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709
N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7689141
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 94811013
N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 91054564
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18190294
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 24542983) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)N1CCC(NC(=O)CCCn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is YJDRYPSNSCYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)21-12-9-15(10-13-21)20-18(23)8-5-11-22-16-6-3-4-7-17(16)25-19(22)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 345.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 24542983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).