N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C13H19N3O3 — CID 97416010

IUPACN-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NC1CCCC1)c1nc2c(o1)CN(CCO)C2
InChIInChI=1S/C13H19N3O3/c17-6-5-16-7-10-11(8-16)19-13(15-10)12(18)14-9-3-1-2-4-9/h9,17H,1-8H2,(H,14,18)
InChIKeyRLXOYWLKTIESTP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.65
Rot. Bonds4

About N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97416010) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97416010
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NC1CCCC1)c1nc2c(o1)CN(CCO)C2
InChIInChI=1S/C13H19N3O3/c17-6-5-16-7-10-11(8-16)19-13(15-10)12(18)14-9-3-1-2-4-9/h9,17H,1-8H2,(H,14,18)
InChIKeyRLXOYWLKTIESTP-UHFFFAOYSA-N
XLogP0.65
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97416010) is N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NC1CCCC1)c1nc2c(o1)CN(CCO)C2.
What is the InChIKey of N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is RLXOYWLKTIESTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-6-5-16-7-10-11(8-16)19-13(15-10)12(18)14-9-3-1-2-4-9/h9,17H,1-8H2,(H,14,18).
What are the key properties of N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97416010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).