N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

C11H17BrN2O3 — CID 80666209

IUPACN-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(CCBr)C(C)C)no1
InChIInChI=1S/C11H17BrN2O3/c1-8(2)14(5-4-12)11(15)10-6-9(7-16-3)17-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeyFCKYTTUTFQYINH-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.07
Rot. Bonds6

About N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 80666209) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID80666209
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC NameN-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(CCBr)C(C)C)no1
InChIInChI=1S/C11H17BrN2O3/c1-8(2)14(5-4-12)11(15)10-6-9(7-16-3)17-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeyFCKYTTUTFQYINH-UHFFFAOYSA-N
XLogP2.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157570
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 77113397
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-(5-bromo-2,2-dimethylpentyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114149721

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 80666209) is N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N(CCBr)C(C)C)no1.
What is the InChIKey of N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FCKYTTUTFQYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-8(2)14(5-4-12)11(15)10-6-9(7-16-3)17-13-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 305.17 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 80666209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).