5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine

C10H13N3O — CID 116832000

IUPAC5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1cc[nH]c1
InChIInChI=1S/C10H13N3O/c1-6(2)9-8(13-10(11)14-9)7-3-4-12-5-7/h3-6,12H,1-2H3,(H2,11,13)
InChIKeyANOGULFICZMBGI-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.38
Rot. Bonds2

About 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine

5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine (PubChem CID 116832000) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
PubChem CID116832000
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1cc[nH]c1
InChIInChI=1S/C10H13N3O/c1-6(2)9-8(13-10(11)14-9)7-3-4-12-5-7/h3-6,12H,1-2H3,(H2,11,13)
InChIKeyANOGULFICZMBGI-UHFFFAOYSA-N
XLogP2.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine (CID 116832000) is 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine is CC(C)c1oc(N)nc1-c1cc[nH]c1.
What is the InChIKey of 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine?
The InChIKey is ANOGULFICZMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(2)9-8(13-10(11)14-9)7-3-4-12-5-7/h3-6,12H,1-2H3,(H2,11,13).
What are the key properties of 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine?
5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine has a molecular weight of 191.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).