[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C19H18N2O3 — CID 51856579

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)16-4-2-10-21(16)19(22)15-12-18(24-20-15)17-5-3-11-23-17/h3,5-9,11-12,16H,2,4,10H2,1H3/t16-/m0/s1
InChIKeyRYDRDICYUNGWMQ-INIZCTEOSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 51856579) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID51856579
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)16-4-2-10-21(16)19(22)15-12-18(24-20-15)17-5-3-11-23-17/h3,5-9,11-12,16H,2,4,10H2,1H3/t16-/m0/s1
InChIKeyRYDRDICYUNGWMQ-INIZCTEOSA-N
XLogP4.22
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 75475016
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856197
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 51856579) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RYDRDICYUNGWMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)16-4-2-10-21(16)19(22)15-12-18(24-20-15)17-5-3-11-23-17/h3,5-9,11-12,16H,2,4,10H2,1H3/t16-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 322.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51856579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).