(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole

C16H21NO — CID 134862158

IUPAC(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
SMILESCC/C(=C1\CN=C(C(C)(C)C)O1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-5-13(12-9-7-6-8-10-12)14-11-17-15(18-14)16(2,3)4/h6-10H,5,11H2,1-4H3/b14-13-
InChIKeyGXDHWGYSKLPFOQ-YPKPFQOOSA-N
MW243.35 g/mol
LogP4.28
Rot. Bonds2

About (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole

(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole (PubChem CID 134862158) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole.

Molecular Properties

Compound Name(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
PubChem CID134862158
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
SMILESCC/C(=C1\CN=C(C(C)(C)C)O1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-5-13(12-9-7-6-8-10-12)14-11-17-15(18-14)16(2,3)4/h6-10H,5,11H2,1-4H3/b14-13-
InChIKeyGXDHWGYSKLPFOQ-YPKPFQOOSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
2-benzyl-5-methylidene-4H-1,3-oxazole
CID 102163816
(E)-2-tert-butyl-5-((4-methylphenyl)(phenyl)methylene)-4,5-dihydrooxazole
CID 122207954
(5Z)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole
CID 177438429
2-Methyl-4,5-dihydro-1,3-oxazole;toluene
CID 54530071
N-(2-ethoxyprop-2-enyl)-1,1-diphenylmethanimine
CID 56973326
N-(2-methoxyprop-2-enyl)-1,1-diphenylmethanimine
CID 89410384
N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-1,1-diphenylmethanimine
CID 90160101
N-(2-ethoxypropyl)-2-phenylethanimine
CID 126627666
2,4-Diethyl-4-methyl-5-methylidene-1,3-oxazole;toluene
CID 143504528
(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine
CID 143676955
2-Methyl-4,5-dihydro-1,3-oxazole;styrene
CID 174703455

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole?
The IUPAC name of (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole (CID 134862158) is (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole.
What is the SMILES notation for (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole?
The canonical SMILES for (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole is CC/C(=C1\CN=C(C(C)(C)C)O1)c1ccccc1.
What is the InChIKey of (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole?
The InChIKey is GXDHWGYSKLPFOQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-13(12-9-7-6-8-10-12)14-11-17-15(18-14)16(2,3)4/h6-10H,5,11H2,1-4H3/b14-13-.
What are the key properties of (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole?
(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole has a molecular weight of 243.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole is sourced from PubChem (CID 134862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).