N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C10H15N3O — CID 79503728

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1noc(C)c1CNC1=NCCC1
InChIInChI=1S/C10H15N3O/c1-7-9(8(2)14-13-7)6-12-10-4-3-5-11-10/h3-6H2,1-2H3,(H,11,12)
InChIKeyIUJVAEQQXIFLKM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.57
Rot. Bonds2

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503728) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503728
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1noc(C)c1CNC1=NCCC1
InChIInChI=1S/C10H15N3O/c1-7-9(8(2)14-13-7)6-12-10-4-3-5-11-10/h3-6H2,1-2H3,(H,11,12)
InChIKeyIUJVAEQQXIFLKM-UHFFFAOYSA-N
XLogP1.57
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79503728) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Cc1noc(C)c1CNC1=NCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is IUJVAEQQXIFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-9(8(2)14-13-7)6-12-10-4-3-5-11-10/h3-6H2,1-2H3,(H,11,12).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 193.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).