2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

C16H27BrN2O4 — CID 88998630

IUPAC2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCC(C)(Br)C(=O)NC1CC(C(C)(C)COC2CCCCO2)=NO1
InChIInChI=1S/C16H27BrN2O4/c1-15(2,10-22-13-7-5-6-8-21-13)11-9-12(23-19-11)18-14(20)16(3,4)17/h12-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyKOGSKZCWQVUYHL-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.95
Rot. Bonds6

About 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (PubChem CID 88998630) has the molecular formula C16H27BrN2O4 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
PubChem CID88998630
Molecular FormulaC16H27BrN2O4
Molecular Weight391.31 g/mol
Exact Mass390.12
IUPAC Name2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCC(C)(Br)C(=O)NC1CC(C(C)(C)COC2CCCCO2)=NO1
InChIInChI=1S/C16H27BrN2O4/c1-15(2,10-22-13-7-5-6-8-21-13)11-9-12(23-19-11)18-14(20)16(3,4)17/h12-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyKOGSKZCWQVUYHL-UHFFFAOYSA-N
XLogP2.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 88998631
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 70820859
2-(2,2,3,3,3-pentabromopropoxy)oxolane
CID 18927726
3-[cyclopentyl(methyl)amino]-3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297266
2-(3-fluoropyrrolidin-1-yl)sulfanyl-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 143964784
N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
CID 91447995
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (CID 88998630) is 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is CC(C)(Br)C(=O)NC1CC(C(C)(C)COC2CCCCO2)=NO1.
What is the InChIKey of 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The InChIKey is KOGSKZCWQVUYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O4/c1-15(2,10-22-13-7-5-6-8-21-13)11-9-12(23-19-11)18-14(20)16(3,4)17/h12-13H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide has a molecular weight of 391.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 88998630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).