2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine

C10H16N2O — CID 112714684

IUPAC2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine
SMILESCC(CN)C1c2cnoc2CC1C
InChIInChI=1S/C10H16N2O/c1-6-3-9-8(5-12-13-9)10(6)7(2)4-11/h5-7,10H,3-4,11H2,1-2H3
InChIKeyBMRBPDDDUIBGRC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds2

About 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine

2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine (PubChem CID 112714684) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine
PubChem CID112714684
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine
SMILESCC(CN)C1c2cnoc2CC1C
InChIInChI=1S/C10H16N2O/c1-6-3-9-8(5-12-13-9)10(6)7(2)4-11/h5-7,10H,3-4,11H2,1-2H3
InChIKeyBMRBPDDDUIBGRC-UHFFFAOYSA-N
XLogP1.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine (CID 112714684) is 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine is CC(CN)C1c2cnoc2CC1C.
What is the InChIKey of 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine?
The InChIKey is BMRBPDDDUIBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-9-8(5-12-13-9)10(6)7(2)4-11/h5-7,10H,3-4,11H2,1-2H3.
What are the key properties of 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine?
2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine is sourced from PubChem (CID 112714684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).