N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide

C29H27FN4O3 — CID 36810353

IUPACN-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1)NCc1ccccc1
InChIInChI=1S/C29H27FN4O3/c30-25-13-7-6-12-24(25)26-19-32-28(37-26)22-10-4-5-11-23(22)29(36)34-16-14-33(15-17-34)20-27(35)31-18-21-8-2-1-3-9-21/h1-13,19H,14-18,20H2,(H,31,35)
InChIKeyUGXNHYAMDNJCFC-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.22
Rot. Bonds7

About N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide (PubChem CID 36810353) has the molecular formula C29H27FN4O3 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide
PubChem CID36810353
Molecular FormulaC29H27FN4O3
Molecular Weight498.56 g/mol
Exact Mass498.21
IUPAC NameN-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1)NCc1ccccc1
InChIInChI=1S/C29H27FN4O3/c30-25-13-7-6-12-24(25)26-19-32-28(37-26)22-10-4-5-11-23(22)29(36)34-16-14-33(15-17-34)20-27(35)31-18-21-8-2-1-3-9-21/h1-13,19H,14-18,20H2,(H,31,35)
InChIKeyUGXNHYAMDNJCFC-UHFFFAOYSA-N
XLogP4.22
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazine-1-carboxylate
CID 36759625
N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 31800185
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 119636036
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N'-(2-hydroxybenzoyl)benzohydrazide
CID 36762830
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
ethyl (3S)-1-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperidine-3-carboxylate
CID 36768257
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide (CID 36810353) is N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is UGXNHYAMDNJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O3/c30-25-13-7-6-12-24(25)26-19-32-28(37-26)22-10-4-5-11-23(22)29(36)34-16-14-33(15-17-34)20-27(35)31-18-21-8-2-1-3-9-21/h1-13,19H,14-18,20H2,(H,31,35).
What are the key properties of N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 498.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).