2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine

C12H16N2OS — CID 79002812

IUPAC2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccon1)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-9(2)12(11-4-3-7-16-11)13-8-10-5-6-15-14-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyFBEVHEWRGVKXHA-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 79002812) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID79002812
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccon1)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-9(2)12(11-4-3-7-16-11)13-8-10-5-6-15-14-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyFBEVHEWRGVKXHA-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43786598
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103244696
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79419287
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 79002812) is 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1ccon1)c1cccs1.
What is the InChIKey of 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is FBEVHEWRGVKXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)12(11-4-3-7-16-11)13-8-10-5-6-15-14-10/h3-7,9,12-13H,8H2,1-2H3.
What are the key properties of 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79002812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).