N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide

C23H28FN5O3 — CID 110085812

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2(C)CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)on1
InChIInChI=1S/C23H28FN5O3/c1-3-16-12-17(32-28-16)13-25-22(31)23(2)9-4-10-29(14-23)21(30)8-7-20-26-18-6-5-15(24)11-19(18)27-20/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyUMMCTVUWIMWZAT-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.13
Rot. Bonds7

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide (PubChem CID 110085812) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
PubChem CID110085812
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2(C)CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)on1
InChIInChI=1S/C23H28FN5O3/c1-3-16-12-17(32-28-16)13-25-22(31)23(2)9-4-10-29(14-23)21(30)8-7-20-26-18-6-5-15(24)11-19(18)27-20/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyUMMCTVUWIMWZAT-UHFFFAOYSA-N
XLogP3.13
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 125007278
(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide
CID 97205049
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
CID 131927508
7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643383
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 124956168
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
CID 124970421
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide
CID 110085809
1-(3-ethyl-1,2-oxazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 171686589
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
CID 171688151

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide (CID 110085812) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide is CCc1cc(CNC(=O)C2(C)CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is UMMCTVUWIMWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-3-16-12-17(32-28-16)13-25-22(31)23(2)9-4-10-29(14-23)21(30)8-7-20-26-18-6-5-15(24)11-19(18)27-20/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110085812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).