N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C9H13BrN2O2 — CID 106441445

IUPACN-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCBr)no1
InChIInChI=1S/C9H13BrN2O2/c1-7-6-8(11-14-7)9(13)12(2)5-3-4-10/h6H,3-5H2,1-2H3
InChIKeyKMOCKUCZNRWZOA-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.84
Rot. Bonds4

About N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 106441445) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID106441445
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC NameN-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCBr)no1
InChIInChI=1S/C9H13BrN2O2/c1-7-6-8(11-14-7)9(13)12(2)5-3-4-10/h6H,3-5H2,1-2H3
InChIKeyKMOCKUCZNRWZOA-UHFFFAOYSA-N
XLogP1.84
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 106441483
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 106441445) is N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CCCBr)no1.
What is the InChIKey of N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is KMOCKUCZNRWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-7-6-8(11-14-7)9(13)12(2)5-3-4-10/h6H,3-5H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 261.12 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106441445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).