N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide

C24H25N3O3 — CID 45223847

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
SMILESC=CCCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-3-8-22(28)27-15-13-17(14-16-27)23(29)25-19-11-9-18(10-12-19)24-26-20-6-4-5-7-21(20)30-24/h2,4-7,9-12,17H,1,3,8,13-16H2,(H,25,29)
InChIKeyIDTUWHZGWHTALZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.64
Rot. Bonds6

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide (PubChem CID 45223847) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
PubChem CID45223847
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
SMILESC=CCCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-3-8-22(28)27-15-13-17(14-16-27)23(29)25-19-11-9-18(10-12-19)24-26-20-6-4-5-7-21(20)30-24/h2,4-7,9-12,17H,1,3,8,13-16H2,(H,25,29)
InChIKeyIDTUWHZGWHTALZ-UHFFFAOYSA-N
XLogP4.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 131944662
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 26407533
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55493015
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 10155316
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide (CID 45223847) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide is C=CCCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide?
The InChIKey is IDTUWHZGWHTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-3-8-22(28)27-15-13-17(14-16-27)23(29)25-19-11-9-18(10-12-19)24-26-20-6-4-5-7-21(20)30-24/h2,4-7,9-12,17H,1,3,8,13-16H2,(H,25,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 45223847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).