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

C14H16N4O — CID 22493269

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncoc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C14H16N4O/c1-10-14(19-9-18-10)11-4-2-3-5-12(11)17-8-13-15-6-7-16-13/h2-5,9,17H,6-8H2,1H3,(H,15,16)
InChIKeyKUBADPQAWRUMPM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds4

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline (PubChem CID 22493269) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
PubChem CID22493269
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncoc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C14H16N4O/c1-10-14(19-9-18-10)11-4-2-3-5-12(11)17-8-13-15-6-7-16-13/h2-5,9,17H,6-8H2,1H3,(H,15,16)
InChIKeyKUBADPQAWRUMPM-UHFFFAOYSA-N
XLogP2.06
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
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-(4-methyl-1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline (CID 22493269) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline is Cc1ncoc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline?
The InChIKey is KUBADPQAWRUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-14(19-9-18-10)11-4-2-3-5-12(11)17-8-13-15-6-7-16-13/h2-5,9,17H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline has a molecular weight of 256.31 g/mol, XLogP of 2.06, 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-(4-methyl-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 22493269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).