N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C15H18BrN3O2 — CID 55663153

IUPACN-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3O2/c1-11-17-14(21-18-11)4-3-5-15(20)19(2)10-12-6-8-13(16)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKeyKDJXGOQRFWBABQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55663153) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55663153
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3O2/c1-11-17-14(21-18-11)4-3-5-15(20)19(2)10-12-6-8-13(16)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKeyKDJXGOQRFWBABQ-UHFFFAOYSA-N
XLogP3.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713645
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55716404
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
3-(1,3-benzoxazol-2-yl)-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 9428747
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 87010762
3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60989687
2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
CID 119205867

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55663153) is N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)N(C)Cc2ccc(Br)cc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is KDJXGOQRFWBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-11-17-14(21-18-11)4-3-5-15(20)19(2)10-12-6-8-13(16)9-7-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 352.23 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55663153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).