2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide

C16H20BrN3O2 — CID 3850439

IUPAC2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C(N)C(C)C)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3O2/c1-9(2)14(18)16-20-13(8-22-16)15(21)19-10(3)11-4-6-12(17)7-5-11/h4-10,14H,18H2,1-3H3,(H,19,21)
InChIKeySIRMDJQCZCYSOG-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.58
Rot. Bonds5

About 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3850439) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3850439
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C(N)C(C)C)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3O2/c1-9(2)14(18)16-20-13(8-22-16)15(21)19-10(3)11-4-6-12(17)7-5-11/h4-10,14H,18H2,1-3H3,(H,19,21)
InChIKeySIRMDJQCZCYSOG-UHFFFAOYSA-N
XLogP3.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3839796
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3847870
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3850439) is 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(C(N)C(C)C)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SIRMDJQCZCYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-9(2)14(18)16-20-13(8-22-16)15(21)19-10(3)11-4-6-12(17)7-5-11/h4-10,14H,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 366.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).