2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine

C14H15BrN2O — CID 115066256

IUPAC2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine
SMILESNC1CCc2oc(Cc3ccc(Br)cc3)nc2C1
InChIInChI=1S/C14H15BrN2O/c15-10-3-1-9(2-4-10)7-14-17-12-8-11(16)5-6-13(12)18-14/h1-4,11H,5-8,16H2
InChIKeyYXEVXFOCBUOSMO-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.84
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine

2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine (PubChem CID 115066256) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine
PubChem CID115066256
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine
SMILESNC1CCc2oc(Cc3ccc(Br)cc3)nc2C1
InChIInChI=1S/C14H15BrN2O/c15-10-3-1-9(2-4-10)7-14-17-12-8-11(16)5-6-13(12)18-14/h1-4,11H,5-8,16H2
InChIKeyYXEVXFOCBUOSMO-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066599
2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066632
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol
CID 115066177
4-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazol-2-ylmethyl)aniline
CID 83949306
2-[[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483320
3-[(4-bromophenyl)methyl]cyclohept-2-en-1-amine
CID 107383273
[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 55108529
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
1-bromo-4-(cyclobuten-1-ylmethyl)benzene
CID 71773311
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335873
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-one
CID 115079030

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine (CID 115066256) is 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine is NC1CCc2oc(Cc3ccc(Br)cc3)nc2C1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine?
The InChIKey is YXEVXFOCBUOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-10-3-1-9(2-4-10)7-14-17-12-8-11(16)5-6-13(12)18-14/h1-4,11H,5-8,16H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine?
2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine has a molecular weight of 307.19 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115066256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).