N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C27H32N4O3 — CID 53122841

IUPACN-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C27H32N4O3/c1-30(19-21-11-4-2-5-12-21)16-10-15-28-26(32)24-25(34-20-29-24)22-13-6-7-14-23(22)27(33)31-17-8-3-9-18-31/h2,4-7,11-14,20H,3,8-10,15-19H2,1H3,(H,28,32)
InChIKeyWHZQZGUEPDNGBC-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.22
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122841) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122841
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1)Cc1ccccc1
InChIInChI=1S/C27H32N4O3/c1-30(19-21-11-4-2-5-12-21)16-10-15-28-26(32)24-25(34-20-29-24)22-13-6-7-14-23(22)27(33)31-17-8-3-9-18-31/h2,4-7,11-14,20H,3,8-10,15-19H2,1H3,(H,28,32)
InChIKeyWHZQZGUEPDNGBC-UHFFFAOYSA-N
XLogP4.22
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 53122998
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53122841) is N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is CN(CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WHZQZGUEPDNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-30(19-21-11-4-2-5-12-21)16-10-15-28-26(32)24-25(34-20-29-24)22-13-6-7-14-23(22)27(33)31-17-8-3-9-18-31/h2,4-7,11-14,20H,3,8-10,15-19H2,1H3,(H,28,32).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).