N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide

C19H30N6O3 — CID 164879553

IUPACN-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
SMILESCC(C)NC=O.CNC1CCC(c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1
InChIInChI=1S/C15H21N5O2.C4H9NO/c1-9-5-12(22-20-9)7-15(21)17-14-8-13(18-19-14)10-3-4-11(6-10)16-2;1-4(2)5-3-6/h5,8,10-11,16H,3-4,6-7H2,1-2H3,(H2,17,18,19,21);3-4H,1-2H3,(H,5,6)
InChIKeyGZESXGHAAIYFHV-UHFFFAOYSA-N
MW390.49 g/mol
LogP1.88
Rot. Bonds7

About N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide

N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide (PubChem CID 164879553) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
PubChem CID164879553
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC NameN-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
SMILESCC(C)NC=O.CNC1CCC(c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1
InChIInChI=1S/C15H21N5O2.C4H9NO/c1-9-5-12(22-20-9)7-15(21)17-14-8-13(18-19-14)10-3-4-11(6-10)16-2;1-4(2)5-3-6/h5,8,10-11,16H,3-4,6-7H2,1-2H3,(H2,17,18,19,21);3-4H,1-2H3,(H,5,6)
InChIKeyGZESXGHAAIYFHV-UHFFFAOYSA-N
XLogP1.88
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide?
The IUPAC name of N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide (CID 164879553) is N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide.
What is the SMILES notation for N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide?
The canonical SMILES for N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide is CC(C)NC=O.CNC1CCC(c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1.
What is the InChIKey of N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide?
The InChIKey is GZESXGHAAIYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.C4H9NO/c1-9-5-12(22-20-9)7-15(21)17-14-8-13(18-19-14)10-3-4-11(6-10)16-2;1-4(2)5-3-6/h5,8,10-11,16H,3-4,6-7H2,1-2H3,(H2,17,18,19,21);3-4H,1-2H3,(H,5,6).
What are the key properties of N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide?
N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide has a molecular weight of 390.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide is sourced from PubChem (CID 164879553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).