N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide

C15H24N4O2 — CID 97405657

IUPACN-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc2c1CN(CCN1CCCC1)CC2
InChIInChI=1S/C15H24N4O2/c1-12(20)16-10-14-13-11-19(7-4-15(13)21-17-14)9-8-18-5-2-3-6-18/h2-11H2,1H3,(H,16,20)
InChIKeyHTWPIOKEYMIDTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.76
Rot. Bonds5

About N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide

N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide (PubChem CID 97405657) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
PubChem CID97405657
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc2c1CN(CCN1CCCC1)CC2
InChIInChI=1S/C15H24N4O2/c1-12(20)16-10-14-13-11-19(7-4-15(13)21-17-14)9-8-18-5-2-3-6-18/h2-11H2,1H3,(H,16,20)
InChIKeyHTWPIOKEYMIDTF-UHFFFAOYSA-N
XLogP0.76
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide (CID 97405657) is N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide is CC(=O)NCc1noc2c1CN(CCN1CCCC1)CC2.
What is the InChIKey of N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The InChIKey is HTWPIOKEYMIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(20)16-10-14-13-11-19(7-4-15(13)21-17-14)9-8-18-5-2-3-6-18/h2-11H2,1H3,(H,16,20).
What are the key properties of N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 97405657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).