3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine

C9H15N3O — CID 106415423

IUPAC3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccno2)C1
InChIInChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2
InChIKeyXUOIVEANOZBEPY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds3

About 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine

3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 106415423) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
PubChem CID106415423
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccno2)C1
InChIInChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2
InChIKeyXUOIVEANOZBEPY-UHFFFAOYSA-N
XLogP0.64
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
1,2-oxazol-5-ylmethylhydrazine
CID 141044589
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
3-(1,2-oxazol-5-ylmethylamino)thiolan-2-one
CID 131065624

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine (CID 106415423) is 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCc2ccno2)C1.
What is the InChIKey of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is XUOIVEANOZBEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2.
What are the key properties of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 106415423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).