5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid

C16H21NO5 — CID 57109367

IUPAC5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
SMILESO=C(O)CCCCC1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15(19)9-5-4-8-14-11-21-12-17(14)16(20)22-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,19)
InChIKeyUWJUKAFCDZIRTC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.63
Rot. Bonds7

About 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid

5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid (PubChem CID 57109367) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
PubChem CID57109367
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
SMILESO=C(O)CCCCC1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15(19)9-5-4-8-14-11-21-12-17(14)16(20)22-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,19)
InChIKeyUWJUKAFCDZIRTC-UHFFFAOYSA-N
XLogP2.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
benzyl (3S)-3-prop-2-ynylmorpholine-4-carboxylate
CID 87302423
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 53243017
benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 170567015
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl (4S)-4-[(E)-3-(diethylamino)prop-2-enoyl]-1,3-oxazolidine-3-carboxylate
CID 15487455
benzyl (4R)-4-methyl-1,3-oxazolidine-3-carboxylate;benzyl 1,3-oxazolidine-3-carboxylate;bis(carbon dioxide)
CID 160599386
benzyl (3R,3aR,6S,6aR)-3-hydroxy-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 58208605

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid?
The IUPAC name of 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid (CID 57109367) is 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid.
What is the SMILES notation for 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid?
The canonical SMILES for 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid is O=C(O)CCCCC1COCN1C(=O)OCc1ccccc1.
What is the InChIKey of 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid?
The InChIKey is UWJUKAFCDZIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c18-15(19)9-5-4-8-14-11-21-12-17(14)16(20)22-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,19).
What are the key properties of 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid?
5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid has a molecular weight of 307.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid is sourced from PubChem (CID 57109367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).