formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid

C19H22N2O7 — CID 155940487

IUPACformic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](CC(=O)O)[C@H](O)C1.O=CO
InChIInChI=1S/C18H20N2O5.CH2O2/c1-11-14(19-18(25-11)12-5-3-2-4-6-12)8-16(22)20-9-13(7-17(23)24)15(21)10-20;2-1-3/h2-6,13,15,21H,7-10H2,1H3,(H,23,24);1H,(H,2,3)/t13-,15-;/m1./s1
InChIKeyRGXMJTUQUVDAAY-SWYZXDRTSA-N
MW390.39 g/mol
LogP1.19
Rot. Bonds5

About formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid

formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid (PubChem CID 155940487) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid
PubChem CID155940487
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Nameformic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](CC(=O)O)[C@H](O)C1.O=CO
InChIInChI=1S/C18H20N2O5.CH2O2/c1-11-14(19-18(25-11)12-5-3-2-4-6-12)8-16(22)20-9-13(7-17(23)24)15(21)10-20;2-1-3/h2-6,13,15,21H,7-10H2,1H3,(H,23,24);1H,(H,2,3)/t13-,15-;/m1./s1
InChIKeyRGXMJTUQUVDAAY-SWYZXDRTSA-N
XLogP1.19
TPSA141.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
CID 146039683
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
1-[(3S,4R)-3-amino-4-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138016052
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 129469907
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
formic acid;1-[(3R,4S)-4-hydroxy-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 171321514
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid (CID 155940487) is formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](CC(=O)O)[C@H](O)C1.O=CO.
What is the InChIKey of formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is RGXMJTUQUVDAAY-SWYZXDRTSA-N. The full InChI is InChI=1S/C18H20N2O5.CH2O2/c1-11-14(19-18(25-11)12-5-3-2-4-6-12)8-16(22)20-9-13(7-17(23)24)15(21)10-20;2-1-3/h2-6,13,15,21H,7-10H2,1H3,(H,23,24);1H,(H,2,3)/t13-,15-;/m1./s1.
What are the key properties of formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid?
formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 390.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 155940487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).