N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline

C17H16N2O — CID 10778030

IUPACN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
SMILESC(\C1=NCCO1)=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1-10,13,19H,11-12H2/b16-13-
InChIKeyWMZQCEUGZROVOI-SSZFMOIBSA-N
MW264.33 g/mol
LogP3.57
Rot. Bonds4

About N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline

N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline (PubChem CID 10778030) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline.

Molecular Properties

Compound NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
PubChem CID10778030
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
SMILESC(\C1=NCCO1)=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1-10,13,19H,11-12H2/b16-13-
InChIKeyWMZQCEUGZROVOI-SSZFMOIBSA-N
XLogP3.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline (CID 10778030) is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline.
What is the SMILES notation for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The canonical SMILES for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline is C(\C1=NCCO1)=C(\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The InChIKey is WMZQCEUGZROVOI-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1-10,13,19H,11-12H2/b16-13-.
What are the key properties of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline has a molecular weight of 264.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline is sourced from PubChem (CID 10778030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).