N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C14H25N3O — CID 106603931

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1c(C)noc1C)CC1CCCN1
InChIInChI=1S/C14H25N3O/c1-4-8-17(9-13-6-5-7-15-13)10-14-11(2)16-18-12(14)3/h13,15H,4-10H2,1-3H3
InChIKeyGJDKWULAPMPQGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.26
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106603931) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106603931
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1c(C)noc1C)CC1CCCN1
InChIInChI=1S/C14H25N3O/c1-4-8-17(9-13-6-5-7-15-13)10-14-11(2)16-18-12(14)3/h13,15H,4-10H2,1-3H3
InChIKeyGJDKWULAPMPQGO-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605994
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(piperidin-2-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106635960
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106603931) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1c(C)noc1C)CC1CCCN1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is GJDKWULAPMPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-8-17(9-13-6-5-7-15-13)10-14-11(2)16-18-12(14)3/h13,15H,4-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).