N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C27H33N3O2 — CID 60569130

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C27H33N3O2/c1-27(2,3)21-9-11-23(12-10-21)30-17-15-22(16-18-30)29-25(31)13-14-26-28-19-24(32-26)20-7-5-4-6-8-20/h4-12,19,22H,13-18H2,1-3H3,(H,29,31)
InChIKeyGHNPPLCWVGEJFU-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.36
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 60569130) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID60569130
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C27H33N3O2/c1-27(2,3)21-9-11-23(12-10-21)30-17-15-22(16-18-30)29-25(31)13-14-26-28-19-24(32-26)20-7-5-4-6-8-20/h4-12,19,22H,13-18H2,1-3H3,(H,29,31)
InChIKeyGHNPPLCWVGEJFU-UHFFFAOYSA-N
XLogP5.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24633125
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
N-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86921699

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 60569130) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CC(C)(C)c1ccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is GHNPPLCWVGEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-27(2,3)21-9-11-23(12-10-21)30-17-15-22(16-18-30)29-25(31)13-14-26-28-19-24(32-26)20-7-5-4-6-8-20/h4-12,19,22H,13-18H2,1-3H3,(H,29,31).
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 60569130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).