3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one

C18H19NO4 — CID 143046296

IUPAC3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1C=CC(OCc2ccccc2)=CC1)N1CCOC1=O
InChIInChI=1S/C18H19NO4/c20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15/h1-6,8-9,14H,7,10-13H2
InChIKeyAZKVBZJSFYTUCR-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.03
Rot. Bonds5

About 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one

3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 143046296) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one
PubChem CID143046296
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1C=CC(OCc2ccccc2)=CC1)N1CCOC1=O
InChIInChI=1S/C18H19NO4/c20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15/h1-6,8-9,14H,7,10-13H2
InChIKeyAZKVBZJSFYTUCR-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
Benzyl 2-oxopyrrolidine-1-carboxylate
CID 10932936
benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779
(S)-benzyl 2-(oxazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 46889293
1-O-benzyl 2-O-ethenyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 21152457
(R)-2-benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 820870
Z-Pyr-OtBu
CID 10615573
3-Benzyl 1-tert-butyl pyrrolidine-1,3-dicarboxylate
CID 12162212

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one (CID 143046296) is 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one is O=C(CC1C=CC(OCc2ccccc2)=CC1)N1CCOC1=O.
What is the InChIKey of 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is AZKVBZJSFYTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15/h1-6,8-9,14H,7,10-13H2.
What are the key properties of 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 313.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylmethoxycyclohexa-2,4-dien-1-yl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143046296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).