[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine

C9H11N3O — CID 82280585

IUPAC[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1cc[nH]c1
InChIInChI=1S/C9H11N3O/c1-6-9(7-2-3-11-5-7)12-8(4-10)13-6/h2-3,5,11H,4,10H2,1H3
InChIKeyMOQBMKAELZIGCV-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.44
Rot. Bonds2

About [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine

[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82280585) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID82280585
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1cc[nH]c1
InChIInChI=1S/C9H11N3O/c1-6-9(7-2-3-11-5-7)12-8(4-10)13-6/h2-3,5,11H,4,10H2,1H3
InChIKeyMOQBMKAELZIGCV-UHFFFAOYSA-N
XLogP1.44
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
CID 82283251
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine
CID 83530552
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 82283031
5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
CID 116832000
2,4-dimethyl-6-(1H-pyrrol-3-yl)pyrimidin-5-amine
CID 82468666
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
CID 136995812
2-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988525
4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
CID 82468326
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine (CID 82280585) is [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine is Cc1oc(CN)nc1-c1cc[nH]c1.
What is the InChIKey of [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is MOQBMKAELZIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-9(7-2-3-11-5-7)12-8(4-10)13-6/h2-3,5,11H,4,10H2,1H3.
What are the key properties of [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine?
[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82280585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).