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

C18H18N2O — CID 10660238

IUPACN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline
SMILESC/C(C1=NCCO1)=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(18-19-12-13-21-18)17(15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3/b17-14-
InChIKeyZGUMQQOZCJRNFL-VKAVYKQESA-N
MW278.36 g/mol
LogP3.96
Rot. Bonds4

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

N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline (PubChem CID 10660238) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline.

Molecular Properties

Compound NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline
PubChem CID10660238
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline
SMILESC/C(C1=NCCO1)=C(/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(18-19-12-13-21-18)17(15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3/b17-14-
InChIKeyZGUMQQOZCJRNFL-VKAVYKQESA-N
XLogP3.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Bis[(4-amidinophenyl)amino]-3-oxapentane
CID 11772185
Bis[2-((4S)-4,5-dihydro-4-isopropyloxazol-2-yl)phenyl]amine
CID 11003687
2,6-dimethyl-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 101962532
N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline
CID 10588089
ethyl (E)-3-[4-[4-[4-[2-(fluoromethoxy)ethylamino]phenyl]-5-methyl-2,3-dihydro-1H-imidazol-2-yl]phenyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]prop-2-enimidate
CID 89146702
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]-2,3,4,5,6-pentafluoroaniline
CID 139985773
2,3,4,5,6-pentafluoro-N-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethenyl]aniline
CID 139985832
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]-2,3,4,5,6-pentafluoroaniline
CID 139985847
N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
CID 139985864
methyl (2Z)-2-ethyl-N-methyl-3-propyl-4-[3-(trifluoromethyl)anilino]hexa-2,5-dienimidate
CID 144321591
propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
CID 169205166
2-aminoethyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
CID 169205253

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline?
The IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline (CID 10660238) is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline.
What is the SMILES notation for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline?
The canonical SMILES for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline is C/C(C1=NCCO1)=C(/Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline?
The InChIKey is ZGUMQQOZCJRNFL-VKAVYKQESA-N. The full InChI is InChI=1S/C18H18N2O/c1-14(18-19-12-13-21-18)17(15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3/b17-14-.
What are the key properties of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline?
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline has a molecular weight of 278.36 g/mol, XLogP of 3.96, 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-phenylprop-1-enyl]aniline is sourced from PubChem (CID 10660238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).