N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H18N4O2 — CID 126439630

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C13H18N4O2/c1-2-8-6-9(19-17-8)7-14-13(18)12-10-4-3-5-11(10)15-16-12/h9H,2-7H2,1H3,(H,14,18)(H,15,16)/t9-/m0/s1
InChIKeyOOIMMMAKJYKQRV-VIFPVBQESA-N
MW262.31 g/mol
LogP1.18
Rot. Bonds4

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 126439630) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID126439630
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C13H18N4O2/c1-2-8-6-9(19-17-8)7-14-13(18)12-10-4-3-5-11(10)15-16-12/h9H,2-7H2,1H3,(H,14,18)(H,15,16)/t9-/m0/s1
InChIKeyOOIMMMAKJYKQRV-VIFPVBQESA-N
XLogP1.18
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 126439630) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCC1=NO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is OOIMMMAKJYKQRV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-8-6-9(19-17-8)7-14-13(18)12-10-4-3-5-11(10)15-16-12/h9H,2-7H2,1H3,(H,14,18)(H,15,16)/t9-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 126439630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).