N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C12H21N3O — CID 106372168

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cnc(CNCCCN2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-11-9-14-12(16-11)10-13-5-4-8-15-6-2-3-7-15/h9,13H,2-8,10H2,1H3
InChIKeyCKASUOYSUJRYFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 106372168) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID106372168
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cnc(CNCCCN2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-11-9-14-12(16-11)10-13-5-4-8-15-6-2-3-7-15/h9,13H,2-8,10H2,1H3
InChIKeyCKASUOYSUJRYFF-UHFFFAOYSA-N
XLogP1.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112700188
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62989600
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107972077
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 106372168) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Cc1cnc(CNCCCN2CCCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CKASUOYSUJRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11-9-14-12(16-11)10-13-5-4-8-15-6-2-3-7-15/h9,13H,2-8,10H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 106372168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).