3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide

C18H22BrN3O2 — CID 119512168

IUPAC3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1nc(CCC(=O)NCC2CCCN2)oc1-c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2/c1-12-18(13-4-6-14(19)7-5-13)24-17(22-12)9-8-16(23)21-11-15-3-2-10-20-15/h4-7,15,20H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyBHRDZWPMUHWREI-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.21
Rot. Bonds6

About 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide

3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119512168) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119512168
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1nc(CCC(=O)NCC2CCCN2)oc1-c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2/c1-12-18(13-4-6-14(19)7-5-13)24-17(22-12)9-8-16(23)21-11-15-3-2-10-20-15/h4-7,15,20H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyBHRDZWPMUHWREI-UHFFFAOYSA-N
XLogP3.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513928
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511913
4-(4-bromophenyl)sulfinyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514095
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119512168) is 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide is Cc1nc(CCC(=O)NCC2CCCN2)oc1-c1ccc(Br)cc1.
What is the InChIKey of 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is BHRDZWPMUHWREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-12-18(13-4-6-14(19)7-5-13)24-17(22-12)9-8-16(23)21-11-15-3-2-10-20-15/h4-7,15,20H,2-3,8-11H2,1H3,(H,21,23).
What are the key properties of 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 392.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119512168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).