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

C14H19N3OS — CID 62411859

IUPACN-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCNCc1cc(CN(Cc2cccs2)C2CC2)on1
InChIInChI=1S/C14H19N3OS/c1-15-8-11-7-13(18-16-11)9-17(12-4-5-12)10-14-3-2-6-19-14/h2-3,6-7,12,15H,4-5,8-10H2,1H3
InChIKeyBQEAWCBICSPQDJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.62
Rot. Bonds7

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

N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 62411859) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID62411859
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCNCc1cc(CN(Cc2cccs2)C2CC2)on1
InChIInChI=1S/C14H19N3OS/c1-15-8-11-7-13(18-16-11)9-17(12-4-5-12)10-14-3-2-6-19-14/h2-3,6-7,12,15H,4-5,8-10H2,1H3
InChIKeyBQEAWCBICSPQDJ-UHFFFAOYSA-N
XLogP2.62
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64522082
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62413445
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411164
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
CID 63188821
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 62411859) is N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is CNCc1cc(CN(Cc2cccs2)C2CC2)on1.
What is the InChIKey of N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is BQEAWCBICSPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-8-11-7-13(18-16-11)9-17(12-4-5-12)10-14-3-2-6-19-14/h2-3,6-7,12,15H,4-5,8-10H2,1H3.
What are the key properties of N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 277.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62411859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).