N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide

C18H24BrN3O2 — CID 119666184

IUPACN-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCCCC(CN)NC(=O)CCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C18H24BrN3O2/c1-2-3-6-13(11-20)22-17(23)9-10-18-21-12-16(24-18)14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11,20H2,1H3,(H,22,23)
InChIKeyREPZBPFYVWOHOU-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.67
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide

N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 119666184) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID119666184
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC NameN-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCCCC(CN)NC(=O)CCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C18H24BrN3O2/c1-2-3-6-13(11-20)22-17(23)9-10-18-21-12-16(24-18)14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11,20H2,1H3,(H,22,23)
InChIKeyREPZBPFYVWOHOU-UHFFFAOYSA-N
XLogP3.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
3-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid
CID 119911967
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
CID 115047212
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide (CID 119666184) is N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide is CCCCC(CN)NC(=O)CCc1ncc(-c2ccccc2Br)o1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is REPZBPFYVWOHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-2-3-6-13(11-20)22-17(23)9-10-18-21-12-16(24-18)14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11,20H2,1H3,(H,22,23).
What are the key properties of N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 394.31 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 119666184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).