(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C17H23N3O3 — CID 94093448

IUPAC(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1
InChIInChI=1S/C17H23N3O3/c1-11-7-14(18-23-11)15-3-2-6-20(15)17(22)13-8-16(21)19(10-13)9-12-4-5-12/h7,12-13,15H,2-6,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyOEOFEFHAAGEEDO-HIFRSBDPSA-N
MW317.39 g/mol
LogP1.91
Rot. Bonds4

About (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94093448) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94093448
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1
InChIInChI=1S/C17H23N3O3/c1-11-7-14(18-23-11)15-3-2-6-20(15)17(22)13-8-16(21)19(10-13)9-12-4-5-12/h7,12-13,15H,2-6,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyOEOFEFHAAGEEDO-HIFRSBDPSA-N
XLogP1.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95779318
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538331
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
1-[3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one
CID 131940846
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95603206
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 94093448) is (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OEOFEFHAAGEEDO-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-14(18-23-11)15-3-2-6-20(15)17(22)13-8-16(21)19(10-13)9-12-4-5-12/h7,12-13,15H,2-6,8-10H2,1H3/t13-,15+/m1/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94093448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).