(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine

C11H16N4O — CID 106377532

IUPAC(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1ncc(C)o1
InChIInChI=1S/C11H16N4O/c1-3-9(12)10-5-13-7-15(10)6-11-14-4-8(2)16-11/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyRRJSUMIXVWUHEV-SECBINFHSA-N
MW220.28 g/mol
LogP1.64
Rot. Bonds4

About (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 106377532) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID106377532
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1ncc(C)o1
InChIInChI=1S/C11H16N4O/c1-3-9(12)10-5-13-7-15(10)6-11-14-4-8(2)16-11/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyRRJSUMIXVWUHEV-SECBINFHSA-N
XLogP1.64
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377508
(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377515
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942663
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(1R)-1-(5-methyl-1,3-oxazol-2-yl)propan-1-amine
CID 96637265
(1R)-1-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942316
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 114125645
(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104943036

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine (CID 106377532) is (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1Cc1ncc(C)o1.
What is the InChIKey of (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is RRJSUMIXVWUHEV-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9(12)10-5-13-7-15(10)6-11-14-4-8(2)16-11/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 106377532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).