(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone

C20H21NO2 — CID 155666051

IUPAC(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone
SMILESCC(C)C1=NC(C)(c2ccccc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C20H21NO2/c1-14(2)19-21-20(3,16-12-8-5-9-13-16)18(23-19)17(22)15-10-6-4-7-11-15/h4-14,18H,1-3H3
InChIKeyIBIJPMVNMKOIKG-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.24
Rot. Bonds4

About (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone

(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone (PubChem CID 155666051) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone
PubChem CID155666051
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone
SMILESCC(C)C1=NC(C)(c2ccccc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C20H21NO2/c1-14(2)19-21-20(3,16-12-8-5-9-13-16)18(23-19)17(22)15-10-6-4-7-11-15/h4-14,18H,1-3H3
InChIKeyIBIJPMVNMKOIKG-UHFFFAOYSA-N
XLogP4.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
CID 155666053
2-[(4S,4aS,5R)-7a-(2-fluorophenyl)-5-methyl-4-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 157420886
[(4S,5R)-4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
CID 175764263
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
[(4R,5S)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867320
[(4S,5R)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867321
2-[(4aR,5R,7aS)-7a-(2-fluorophenyl)-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 159482288
2-[(4R,5R,6S)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]-1-phenylethanone
CID 161934675
2-[(4aR,7aS)-5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 162048450
cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
CID 57178800
methyl N-benzyl-2-oxo-2-phenylethanimidate
CID 141270331

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone?
The IUPAC name of (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone (CID 155666051) is (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone is CC(C)C1=NC(C)(c2ccccc2)C(C(=O)c2ccccc2)O1.
What is the InChIKey of (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone?
The InChIKey is IBIJPMVNMKOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14(2)19-21-20(3,16-12-8-5-9-13-16)18(23-19)17(22)15-10-6-4-7-11-15/h4-14,18H,1-3H3.
What are the key properties of (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone?
(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone has a molecular weight of 307.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone is sourced from PubChem (CID 155666051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).