1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine

C9H16N2O — CID 115013442

IUPAC1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
SMILESCc1nc(C(C)N)oc1C(C)C
InChIInChI=1S/C9H16N2O/c1-5(2)8-7(4)11-9(12-8)6(3)10/h5-6H,10H2,1-4H3
InChIKeyVNBXJVVTSIAJCV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine

1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine (PubChem CID 115013442) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
PubChem CID115013442
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
SMILESCc1nc(C(C)N)oc1C(C)C
InChIInChI=1S/C9H16N2O/c1-5(2)8-7(4)11-9(12-8)6(3)10/h5-6H,10H2,1-4H3
InChIKeyVNBXJVVTSIAJCV-UHFFFAOYSA-N
XLogP2.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole
CID 134224933
4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole
CID 134224932
4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole
CID 134224934
2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
CID 105438847
(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine
CID 82417180
(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine
CID 82408883
(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine
CID 82406624
1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 82463467
1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine
CID 77361370
4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine
CID 170382636
2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
CID 115030601
2,3,5-trimethyl-7-propan-2-ylfuro[3,4-b]pyridin-4-amine
CID 160986122

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine (CID 115013442) is 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine is Cc1nc(C(C)N)oc1C(C)C.
What is the InChIKey of 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is VNBXJVVTSIAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5(2)8-7(4)11-9(12-8)6(3)10/h5-6H,10H2,1-4H3.
What are the key properties of 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine?
1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 115013442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).