N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C18H17BrN2O2 — CID 146021965

IUPACN-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H17BrN2O2/c1-11-15(12(2)23-21-11)8-9-18(22)20-14-6-7-16-13(10-14)4-3-5-17(16)19/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeySRNYQIWPWVFLNX-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.78
Rot. Bonds4

About N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 146021965) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID146021965
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H17BrN2O2/c1-11-15(12(2)23-21-11)8-9-18(22)20-14-6-7-16-13(10-14)4-3-5-17(16)19/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeySRNYQIWPWVFLNX-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 131910828
N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 146021962
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
CID 122285788
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122325701
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 146021965) is N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is SRNYQIWPWVFLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-11-15(12(2)23-21-11)8-9-18(22)20-14-6-7-16-13(10-14)4-3-5-17(16)19/h3-7,10H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 373.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 146021965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).