N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide

C17H21FN4O3 — CID 51107241

IUPACN-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)NC(N)=O
InChIInChI=1S/C17H21FN4O3/c1-22(10-8-16(23)20-17(19)24)9-2-3-14-11-15(21-25-14)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H3,19,20,23,24)
InChIKeyVRZDJEKJDTVWFM-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.93
Rot. Bonds8

About N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide

N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide (PubChem CID 51107241) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide
PubChem CID51107241
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)NC(N)=O
InChIInChI=1S/C17H21FN4O3/c1-22(10-8-16(23)20-17(19)24)9-2-3-14-11-15(21-25-14)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H3,19,20,23,24)
InChIKeyVRZDJEKJDTVWFM-UHFFFAOYSA-N
XLogP1.93
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
CID 47057182
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide
CID 75432706
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019137
3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 56571263
2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea
CID 69144370

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide (CID 51107241) is N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide is CN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is VRZDJEKJDTVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-22(10-8-16(23)20-17(19)24)9-2-3-14-11-15(21-25-14)12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H3,19,20,23,24).
What are the key properties of N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide?
N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 348.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 51107241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).