2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane

C85H119N9O2 — CID 159756469

IUPAC2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane

SMILESC.C.C.C.C.C.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.Cc1c(-c2ncco2)cccc1C(C)(C)C

InChIInChI=1S/C14H17NO.C14H16.2C13H16N2.C13H15NO.C12H15N3.6CH4/c1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;;;;;;/h5-9H,1-4H3;4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;6*1H4

InChIKeyNEICJVLMEQKZAH-UHFFFAOYSA-N

MW1298.95 g/mol

LogP24.44

Rot. Bonds5

About 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane

2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane (PubChem CID 159756469) has the molecular formula C85H119N9O2 and a molecular weight of 1298.95 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane.

Molecular Properties

Compound Name	2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane
PubChem CID	159756469
Molecular Formula	C85H119N9O2
Molecular Weight	1298.95 g/mol
Exact Mass	1297.95
IUPAC Name	2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane
SMILES	C.C.C.C.C.C.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.Cc1c(-c2ncco2)cccc1C(C)(C)C
InChI	InChI=1S/C14H17NO.C14H16.2C13H16N2.C13H15NO.C12H15N3.6CH4/c1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;;;;;;/h5-9H,1-4H3;4-10H,1-3H3;24-10H,1-3H3;24-9H,1-3H3;6*1H4
InChIKey	NEICJVLMEQKZAH-UHFFFAOYSA-N
XLogP	24.44
TPSA	118.41 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	5
Heavy Atoms	96
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1298.95
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane?

The IUPAC name of 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane (CID 159756469) is 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane.

What is the SMILES notation for 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane?

The canonical SMILES for 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane is C.C.C.C.C.C.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2ccccc12.Cc1c(-c2ncco2)cccc1C(C)(C)C.

What is the InChIKey of 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane?

The InChIKey is NEICJVLMEQKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H16.2C13H16N2.C13H15NO.C12H15N3.6CH4/c1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;;;;;;/h5-9H,1-4H3;4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;6*1H4.

What are the key properties of 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane?

2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane has a molecular weight of 1298.95 g/mol, XLogP of 24.44, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole;methane is sourced from PubChem (CID 159756469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).