N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine

C11H13BrN2OS — CID 115910602

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2cc(Br)cs2)no1
InChIInChI=1S/C11H13BrN2OS/c1-7(2)10-4-11(14-15-10)13-5-9-3-8(12)6-16-9/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeySARXXOXZRIZKRV-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine

N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 115910602) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID115910602
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2cc(Br)cs2)no1
InChIInChI=1S/C11H13BrN2OS/c1-7(2)10-4-11(14-15-10)13-5-9-3-8(12)6-16-9/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeySARXXOXZRIZKRV-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969584
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528
4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837173
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66017042
N-[(4-bromothiophen-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83268193
6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718632
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 62034388
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine (CID 115910602) is N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1cc(NCc2cc(Br)cs2)no1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is SARXXOXZRIZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7(2)10-4-11(14-15-10)13-5-9-3-8(12)6-16-9/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 301.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 115910602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).