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

C13H14N4O — CID 22493352

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline
SMILESc1ccc(-c2ncco2)c(NCC2=NCCN2)c1
InChIInChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
InChIKeyPBLOKLHEMAJIKI-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.76
Rot. Bonds4

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline (PubChem CID 22493352) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline
PubChem CID22493352
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline
SMILESc1ccc(-c2ncco2)c(NCC2=NCCN2)c1
InChIInChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
InChIKeyPBLOKLHEMAJIKI-UHFFFAOYSA-N
XLogP1.76
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline (CID 22493352) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline is c1ccc(-c2ncco2)c(NCC2=NCCN2)c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline?
The InChIKey is PBLOKLHEMAJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline has a molecular weight of 242.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 22493352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).