3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C12H11N5O — CID 114022695

IUPAC3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2ccncc2)c1
InChIInChI=1S/C12H11N5O/c1-17-6-9(15-7-17)11-10(12(13)18-16-11)8-2-4-14-5-3-8/h2-7H,13H2,1H3
InChIKeyGICWEODHFKNSHC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

About 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 114022695) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID114022695
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2ccncc2)c1
InChIInChI=1S/C12H11N5O/c1-17-6-9(15-7-17)11-10(12(13)18-16-11)8-2-4-14-5-3-8/h2-7H,13H2,1H3
InChIKeyGICWEODHFKNSHC-UHFFFAOYSA-N
XLogP1.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524679
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(5-ethylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524773
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107962951

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 114022695) is 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Cn1cnc(-c2noc(N)c2-c2ccncc2)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is GICWEODHFKNSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-6-9(15-7-17)11-10(12(13)18-16-11)8-2-4-14-5-3-8/h2-7H,13H2,1H3.
What are the key properties of 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 114022695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).