N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine

C14H18N2O — CID 130350566

IUPACN-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine
SMILESCC(C)(C)/N=C(\C1=NCCO1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-14(2,3)16-12(13-15-9-10-17-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b16-12-
InChIKeyIKCAJOXCDRBVDL-VBKFSLOCSA-N
MW230.31 g/mol
LogP2.70
Rot. Bonds2

About N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine

N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine (PubChem CID 130350566) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine
PubChem CID130350566
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine
SMILESCC(C)(C)/N=C(\C1=NCCO1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-14(2,3)16-12(13-15-9-10-17-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b16-12-
InChIKeyIKCAJOXCDRBVDL-VBKFSLOCSA-N
XLogP2.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine?
The IUPAC name of N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine (CID 130350566) is N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine.
What is the SMILES notation for N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine?
The canonical SMILES for N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine is CC(C)(C)/N=C(\C1=NCCO1)c1ccccc1.
What is the InChIKey of N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine?
The InChIKey is IKCAJOXCDRBVDL-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)16-12(13-15-9-10-17-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b16-12-.
What are the key properties of N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine?
N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine has a molecular weight of 230.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 130350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).