N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine

C9H13BrN2O — CID 117192180

IUPACN-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine
SMILESBrc1ncc(CNC2CCCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-12-6-8(13-9)5-11-7-3-1-2-4-7/h6-7,11H,1-5H2
InChIKeyKEBVCVHLNPLNLJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.47
Rot. Bonds3

About N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine

N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine (PubChem CID 117192180) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine
PubChem CID117192180
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC NameN-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine
SMILESBrc1ncc(CNC2CCCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-12-6-8(13-9)5-11-7-3-1-2-4-7/h6-7,11H,1-5H2
InChIKeyKEBVCVHLNPLNLJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-oxazol-5-yl)methyl]cyclopropanamine
CID 117192172
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
2-[(cyclopentylamino)methyl]-1,3-oxazol-5-amine
CID 117187878
5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine
CID 117217711
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
5-[(cyclobutylamino)methyl]-1H-pyrazol-4-amine
CID 117217708
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53272842
N-[(3-bromofuran-2-yl)methyl]cyclohexanamine
CID 103675127
N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine (CID 117192180) is N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine is Brc1ncc(CNC2CCCC2)o1.
What is the InChIKey of N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine?
The InChIKey is KEBVCVHLNPLNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-9-12-6-8(13-9)5-11-7-3-1-2-4-7/h6-7,11H,1-5H2.
What are the key properties of N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine?
N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine has a molecular weight of 245.12 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-1,3-oxazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117192180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).