N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide

C13H13BrN2O2 — CID 110679078

IUPACN-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2cocn2)cc1Br
InChIInChI=1S/C13H13BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyKOSMEROOJSJPOT-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.32
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide

N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679078) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679078
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2cocn2)cc1Br
InChIInChI=1S/C13H13BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyKOSMEROOJSJPOT-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
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N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679110
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
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N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide (CID 110679078) is N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide is Cc1ccc(NC(=O)CCc2cocn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is KOSMEROOJSJPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-9-2-3-10(6-12(9)14)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 309.16 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).