N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine

C13H21N3O — CID 63847429

IUPACN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCC(CNC3CC3)C2)on1
InChIInChI=1S/C13H21N3O/c1-2-11(8-14-12-3-4-12)9-16(7-1)10-13-5-6-15-17-13/h5-6,11-12,14H,1-4,7-10H2
InChIKeyKXKJNYHDBAVAOT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.64
Rot. Bonds5

About N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 63847429) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID63847429
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCC(CNC3CC3)C2)on1
InChIInChI=1S/C13H21N3O/c1-2-11(8-14-12-3-4-12)9-16(7-1)10-13-5-6-15-17-13/h5-6,11-12,14H,1-4,7-10H2
InChIKeyKXKJNYHDBAVAOT-UHFFFAOYSA-N
XLogP1.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106424009
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63848303
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 63847429) is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine is c1cc(CN2CCCC(CNC3CC3)C2)on1.
What is the InChIKey of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is KXKJNYHDBAVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11(8-14-12-3-4-12)9-16(7-1)10-13-5-6-15-17-13/h5-6,11-12,14H,1-4,7-10H2.
What are the key properties of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63847429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).