N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C22H24N4O2 — CID 3860536

IUPACN-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2ccc(NC(=O)c3coc(C4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c23-18-5-1-15(2-6-18)13-16-3-7-19(8-4-16)25-21(27)20-14-28-22(26-20)17-9-11-24-12-10-17/h1-8,14,17,24H,9-13,23H2,(H,25,27)
InChIKeyVFQRFABKORVQSC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.57
Rot. Bonds5

About N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3860536) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3860536
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2ccc(NC(=O)c3coc(C4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c23-18-5-1-15(2-6-18)13-16-3-7-19(8-4-16)25-21(27)20-14-28-22(26-20)17-9-11-24-12-10-17/h1-8,14,17,24H,9-13,23H2,(H,25,27)
InChIKeyVFQRFABKORVQSC-UHFFFAOYSA-N
XLogP3.57
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785755

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3860536) is N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is Nc1ccc(Cc2ccc(NC(=O)c3coc(C4CCNCC4)n3)cc2)cc1.
What is the InChIKey of N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VFQRFABKORVQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-18-5-1-15(2-6-18)13-16-3-7-19(8-4-16)25-21(27)20-14-28-22(26-20)17-9-11-24-12-10-17/h1-8,14,17,24H,9-13,23H2,(H,25,27).
What are the key properties of N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3860536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).