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

C18H26N2O — CID 130350565

IUPACN-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine
SMILESCC(C)(C)/N=C(\C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-17(2,3)14-12-21-16(19-14)15(20-18(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/b20-15-/t14-/m1/s1
InChIKeyJINWMTBUFYNHHV-MYKQLWFJSA-N
MW286.42 g/mol
LogP4.12
Rot. Bonds2

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

N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine (PubChem CID 130350565) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine
PubChem CID130350565
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine
SMILESCC(C)(C)/N=C(\C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-17(2,3)14-12-21-16(19-14)15(20-18(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/b20-15-/t14-/m1/s1
InChIKeyJINWMTBUFYNHHV-MYKQLWFJSA-N
XLogP4.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
2,2-Dimethyl-4-phenyl-3-oxazoline
CID 20517773
Vinylbenzyloxazoline
CID 69039732
Bilastine Impurity 11
CID 86092669
5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 66641810
2-ethoxy-N-ethyl-1-(4-fluorophenyl)prop-2-en-1-imine
CID 149421803
N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine
CID 163597565
Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-2-phenyl-, (4S)-
CID 11056901
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine?
The IUPAC name of N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine (CID 130350565) is N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine is CC(C)(C)/N=C(\C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1.
What is the InChIKey of N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine?
The InChIKey is JINWMTBUFYNHHV-MYKQLWFJSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)14-12-21-16(19-14)15(20-18(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/b20-15-/t14-/m1/s1.
What are the key properties of N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine?
N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine has a molecular weight of 286.42 g/mol, XLogP of 4.12, 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-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 130350565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).