N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

C26H31FN4O2 — CID 142710122

IUPACN-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCCCc1oc(CN2CCCN(CC(=O)Nc3cccc(F)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H31FN4O2/c1-2-8-23-26(20-9-4-3-5-10-20)29-25(33-23)19-31-14-7-13-30(15-16-31)18-24(32)28-22-12-6-11-21(27)17-22/h3-6,9-12,17H,2,7-8,13-16,18-19H2,1H3,(H,28,32)
InChIKeyLZLHCXDMLAHJEY-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.58
Rot. Bonds8

About N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 142710122) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
PubChem CID142710122
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC NameN-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCCCc1oc(CN2CCCN(CC(=O)Nc3cccc(F)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H31FN4O2/c1-2-8-23-26(20-9-4-3-5-10-20)29-25(33-23)19-31-14-7-13-30(15-16-31)18-24(32)28-22-12-6-11-21(27)17-22/h3-6,9-12,17H,2,7-8,13-16,18-19H2,1H3,(H,28,32)
InChIKeyLZLHCXDMLAHJEY-UHFFFAOYSA-N
XLogP4.58
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoroanilino)-1-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 142710182
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711267
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 170274581
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
N-(3-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17451461
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
CID 142710087
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9258950

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (CID 142710122) is N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is CCCc1oc(CN2CCCN(CC(=O)Nc3cccc(F)c3)CC2)nc1-c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is LZLHCXDMLAHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-2-8-23-26(20-9-4-3-5-10-20)29-25(33-23)19-31-14-7-13-30(15-16-31)18-24(32)28-22-12-6-11-21(27)17-22/h3-6,9-12,17H,2,7-8,13-16,18-19H2,1H3,(H,28,32).
What are the key properties of N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 450.56 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 142710122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).