2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine

C10H13N3O — CID 79101202

IUPAC2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cnco1
InChIInChI=1S/C10H13N3O/c1-8-3-4-9(2)13(8)12-6-10-5-11-7-14-10/h3-5,7,12H,6H2,1-2H3
InChIKeySPARQAGAXSTEDN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds3

About 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine

2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine (PubChem CID 79101202) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
PubChem CID79101202
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cnco1
InChIInChI=1S/C10H13N3O/c1-8-3-4-9(2)13(8)12-6-10-5-11-7-14-10/h3-5,7,12H,6H2,1-2H3
InChIKeySPARQAGAXSTEDN-UHFFFAOYSA-N
XLogP1.84
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine (CID 79101202) is 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine is Cc1ccc(C)n1NCc1cnco1.
What is the InChIKey of 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine?
The InChIKey is SPARQAGAXSTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-3-4-9(2)13(8)12-6-10-5-11-7-14-10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine?
2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine has a molecular weight of 191.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine is sourced from PubChem (CID 79101202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).