1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C15H19N5O2 — CID 126948054

IUPAC1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(Cc3nc4c(o3)CCC4)C2)c1
InChIInChI=1S/C15H19N5O2/c16-15(21)10-6-17-20(7-10)11-4-5-19(8-11)9-14-18-12-2-1-3-13(12)22-14/h6-7,11H,1-5,8-9H2,(H2,16,21)
InChIKeyGCKLKRKSQDWCID-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.91
Rot. Bonds4

About 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126948054) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID126948054
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(Cc3nc4c(o3)CCC4)C2)c1
InChIInChI=1S/C15H19N5O2/c16-15(21)10-6-17-20(7-10)11-4-5-19(8-11)9-14-18-12-2-1-3-13(12)22-14/h6-7,11H,1-5,8-9H2,(H2,16,21)
InChIKeyGCKLKRKSQDWCID-UHFFFAOYSA-N
XLogP0.91
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 126948054) is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCN(Cc3nc4c(o3)CCC4)C2)c1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is GCKLKRKSQDWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-15(21)10-6-17-20(7-10)11-4-5-19(8-11)9-14-18-12-2-1-3-13(12)22-14/h6-7,11H,1-5,8-9H2,(H2,16,21).
What are the key properties of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126948054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).