1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine

C11H15N3OS — CID 115694095

IUPAC1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCC(C)c1ncc(CNCc2ccon2)s1
InChIInChI=1S/C11H15N3OS/c1-8(2)11-13-7-10(16-11)6-12-5-9-3-4-15-14-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyKHTPBBXJFPHNKA-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.54
Rot. Bonds5

About 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine

1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 115694095) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID115694095
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCC(C)c1ncc(CNCc2ccon2)s1
InChIInChI=1S/C11H15N3OS/c1-8(2)11-13-7-10(16-11)6-12-5-9-3-4-15-14-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyKHTPBBXJFPHNKA-UHFFFAOYSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115694089
2,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanenitrile
CID 104587228
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 103757495
3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115693948
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
N-methyl-2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylacetamide
CID 81176958
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170956
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495336
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170570
methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 115694095) is 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine is CC(C)c1ncc(CNCc2ccon2)s1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KHTPBBXJFPHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2)11-13-7-10(16-11)6-12-5-9-3-4-15-14-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 237.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115694095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).