N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide

C21H27N3O2 — CID 119730157

IUPACN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNCC1
InChIInChI=1S/C21H27N3O2/c1-14(15-8-10-22-11-9-15)12-20(25)24-18-6-4-16(5-7-18)19-13-23-21(26-19)17-2-3-17/h4-7,13-15,17,22H,2-3,8-12H2,1H3,(H,24,25)
InChIKeyKEFUBPGYAZOXOA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119730157) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119730157
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNCC1
InChIInChI=1S/C21H27N3O2/c1-14(15-8-10-22-11-9-15)12-20(25)24-18-6-4-16(5-7-18)19-13-23-21(26-19)17-2-3-17/h4-7,13-15,17,22H,2-3,8-12H2,1H3,(H,24,25)
InChIKeyKEFUBPGYAZOXOA-UHFFFAOYSA-N
XLogP4.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide;hydrochloride
CID 119399813
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
2-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-2-methylpropanamide
CID 119292951
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide (CID 119730157) is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCNCC1.
What is the InChIKey of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is KEFUBPGYAZOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(15-8-10-22-11-9-15)12-20(25)24-18-6-4-16(5-7-18)19-13-23-21(26-19)17-2-3-17/h4-7,13-15,17,22H,2-3,8-12H2,1H3,(H,24,25).
What are the key properties of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide?
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 353.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119730157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).