[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine

C8H10N4O — CID 106422511

IUPAC[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1Cc1ccno1
InChIInChI=1S/C8H10N4O/c9-3-7-4-10-6-12(7)5-8-1-2-11-13-8/h1-2,4,6H,3,5,9H2
InChIKeyQQRDZTBFCWTQHV-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.38
Rot. Bonds3

About [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine

[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine (PubChem CID 106422511) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine
PubChem CID106422511
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1Cc1ccno1
InChIInChI=1S/C8H10N4O/c9-3-7-4-10-6-12(7)5-8-1-2-11-13-8/h1-2,4,6H,3,5,9H2
InChIKeyQQRDZTBFCWTQHV-UHFFFAOYSA-N
XLogP0.38
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
CID 106422521
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 121199545
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
CID 106422527
[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole
CID 130508280
(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
[3-[(1-methyltetrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 130979520
1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
CID 116624467
[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine (CID 106422511) is [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine is NCc1cncn1Cc1ccno1.
What is the InChIKey of [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine?
The InChIKey is QQRDZTBFCWTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-3-7-4-10-6-12(7)5-8-1-2-11-13-8/h1-2,4,6H,3,5,9H2.
What are the key properties of [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine?
[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine has a molecular weight of 178.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106422511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).