N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide

C15H23N3O3 — CID 72844441

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCCC2)on1
InChIInChI=1S/C15H23N3O3/c1-11-6-13(21-17-11)7-12-9-20-10-14(12)16-15(19)8-18-4-2-3-5-18/h6,12,14H,2-5,7-10H2,1H3,(H,16,19)/t12-,14+/m1/s1
InChIKeySFCTYXCMAZZVNR-OCCSQVGLSA-N
MW293.37 g/mol
LogP0.75
Rot. Bonds5

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 72844441) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID72844441
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCCC2)on1
InChIInChI=1S/C15H23N3O3/c1-11-6-13(21-17-11)7-12-9-20-10-14(12)16-15(19)8-18-4-2-3-5-18/h6,12,14H,2-5,7-10H2,1H3,(H,16,19)/t12-,14+/m1/s1
InChIKeySFCTYXCMAZZVNR-OCCSQVGLSA-N
XLogP0.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide (CID 72844441) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCCC2)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is SFCTYXCMAZZVNR-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-6-13(21-17-11)7-12-9-20-10-14(12)16-15(19)8-18-4-2-3-5-18/h6,12,14H,2-5,7-10H2,1H3,(H,16,19)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 72844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).