4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

C14H13N3O — CID 55060081

IUPAC4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C14H13N3O/c1-2-13(16-7-1)8-17-12-5-3-11(4-6-12)14-9-15-10-18-14/h1-7,9-10,16-17H,8H2
InChIKeyALCKIIFZAUMWQQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.28
Rot. Bonds4

About 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 55060081) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID55060081
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C14H13N3O/c1-2-13(16-7-1)8-17-12-5-3-11(4-6-12)14-9-15-10-18-14/h1-7,9-10,16-17H,8H2
InChIKeyALCKIIFZAUMWQQ-UHFFFAOYSA-N
XLogP3.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (CID 55060081) is 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is c1c[nH]c(CNc2ccc(-c3cnco3)cc2)c1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is ALCKIIFZAUMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-13(16-7-1)8-17-12-5-3-11(4-6-12)14-9-15-10-18-14/h1-7,9-10,16-17H,8H2.
What are the key properties of 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 239.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 55060081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).