(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H22N4O2 — CID 97004864

IUPAC(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CC[C@H](Nc3ccccc3)C2)no1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(20-23-12)19-17(22)13(2)21-9-8-15(11-21)18-14-6-4-3-5-7-14/h3-7,10,13,15,18H,8-9,11H2,1-2H3,(H,19,20,22)/t13-,15+/m1/s1
InChIKeyCXFSXJUKKKMSAV-HIFRSBDPSA-N
MW314.39 g/mol
LogP2.50
Rot. Bonds5

About (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 97004864) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID97004864
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CC[C@H](Nc3ccccc3)C2)no1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(20-23-12)19-17(22)13(2)21-9-8-15(11-21)18-14-6-4-3-5-7-14/h3-7,10,13,15,18H,8-9,11H2,1-2H3,(H,19,20,22)/t13-,15+/m1/s1
InChIKeyCXFSXJUKKKMSAV-HIFRSBDPSA-N
XLogP2.50
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 97004864) is (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](Nc3ccccc3)C2)no1.
What is the InChIKey of (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CXFSXJUKKKMSAV-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-16(20-23-12)19-17(22)13(2)21-9-8-15(11-21)18-14-6-4-3-5-7-14/h3-7,10,13,15,18H,8-9,11H2,1-2H3,(H,19,20,22)/t13-,15+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 97004864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).