N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid

C20H33N3O5 — CID 154915713

IUPACN-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
SMILESCc1cc(C[C@@H]2CN(CCC(=O)NC3CCCCCC3)C[C@@H]2O)on1.O=CO
InChIInChI=1S/C19H31N3O3.CH2O2/c1-14-10-17(25-21-14)11-15-12-22(13-18(15)23)9-8-19(24)20-16-6-4-2-3-5-7-16;2-1-3/h10,15-16,18,23H,2-9,11-13H2,1H3,(H,20,24);1H,(H,2,3)/t15-,18+;/m1./s1
InChIKeyJPWYEOWKJCKYGN-CFILVAQYSA-N
MW395.50 g/mol
LogP1.75
Rot. Bonds6

About N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid

N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid (PubChem CID 154915713) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid.

Molecular Properties

Compound NameN-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
PubChem CID154915713
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC NameN-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
SMILESCc1cc(C[C@@H]2CN(CCC(=O)NC3CCCCCC3)C[C@@H]2O)on1.O=CO
InChIInChI=1S/C19H31N3O3.CH2O2/c1-14-10-17(25-21-14)11-15-12-22(13-18(15)23)9-8-19(24)20-16-6-4-2-3-5-7-16;2-1-3/h10,15-16,18,23H,2-9,11-13H2,1H3,(H,20,24);1H,(H,2,3)/t15-,18+;/m1./s1
InChIKeyJPWYEOWKJCKYGN-CFILVAQYSA-N
XLogP1.75
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid?
The IUPAC name of N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid (CID 154915713) is N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid.
What is the SMILES notation for N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid?
The canonical SMILES for N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid is Cc1cc(C[C@@H]2CN(CCC(=O)NC3CCCCCC3)C[C@@H]2O)on1.O=CO.
What is the InChIKey of N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid?
The InChIKey is JPWYEOWKJCKYGN-CFILVAQYSA-N. The full InChI is InChI=1S/C19H31N3O3.CH2O2/c1-14-10-17(25-21-14)11-15-12-22(13-18(15)23)9-8-19(24)20-16-6-4-2-3-5-7-16;2-1-3/h10,15-16,18,23H,2-9,11-13H2,1H3,(H,20,24);1H,(H,2,3)/t15-,18+;/m1./s1.
What are the key properties of N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid?
N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid has a molecular weight of 395.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid is sourced from PubChem (CID 154915713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).