4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one

C14H17NO3 — CID 143170364

IUPAC4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
SMILESCc1ccccc1CN1OCC2C(C)OC(=O)C21
InChIInChI=1S/C14H17NO3/c1-9-5-3-4-6-11(9)7-15-13-12(8-17-15)10(2)18-14(13)16/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyHGUSKVXGOQRQDO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.67
Rot. Bonds2

About 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one

4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one (PubChem CID 143170364) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one.

Molecular Properties

Compound Name4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
PubChem CID143170364
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
SMILESCc1ccccc1CN1OCC2C(C)OC(=O)C21
InChIInChI=1S/C14H17NO3/c1-9-5-3-4-6-11(9)7-15-13-12(8-17-15)10(2)18-14(13)16/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyHGUSKVXGOQRQDO-UHFFFAOYSA-N
XLogP1.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one with MolForge

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Related Compounds

(3aR,4S,6aS)-3-(hydroxymethyl)-1-[(2-iodophenyl)methyl]-4-methyl-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
CID 143169896
(3aS,6aS)-3a-amino-3-(hydroxymethyl)-1-[(2-methylphenyl)methyl]-4,6a-dihydro-3H-furo[3,4-c][1,2]oxazol-6-one
CID 143170737
2-methyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde
CID 82025240
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 13192567
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
(3aR,7aR)-2-[(2-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7917657
6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 23411083
6-fluoro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 126475484
3-[(2-methylphenyl)methyl]-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 115007131
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one?
The IUPAC name of 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one (CID 143170364) is 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one.
What is the SMILES notation for 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one?
The canonical SMILES for 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one is Cc1ccccc1CN1OCC2C(C)OC(=O)C21.
What is the InChIKey of 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one?
The InChIKey is HGUSKVXGOQRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-3-4-6-11(9)7-15-13-12(8-17-15)10(2)18-14(13)16/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one?
4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one has a molecular weight of 247.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylphenyl)methyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one is sourced from PubChem (CID 143170364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).