(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide

C14H21N5O3 — CID 136585255

IUPAC(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)n1
InChIInChI=1S/C14H21N5O3/c1-18(2)11(20)7-19-8-15-14(17-19)16-13(21)10-5-6-22-12(10)9-3-4-9/h8-10,12H,3-7H2,1-2H3,(H,16,17,21)/t10-,12+/m1/s1
InChIKeyYGPRFQCPIDGUBG-PWSUYJOCSA-N
MW307.35 g/mol
LogP0.12
Rot. Bonds5

About (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide

(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide (PubChem CID 136585255) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide
PubChem CID136585255
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)n1
InChIInChI=1S/C14H21N5O3/c1-18(2)11(20)7-19-8-15-14(17-19)16-13(21)10-5-6-22-12(10)9-3-4-9/h8-10,12H,3-7H2,1-2H3,(H,16,17,21)/t10-,12+/m1/s1
InChIKeyYGPRFQCPIDGUBG-PWSUYJOCSA-N
XLogP0.12
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide (CID 136585255) is (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide is CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)n1.
What is the InChIKey of (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The InChIKey is YGPRFQCPIDGUBG-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-18(2)11(20)7-19-8-15-14(17-19)16-13(21)10-5-6-22-12(10)9-3-4-9/h8-10,12H,3-7H2,1-2H3,(H,16,17,21)/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 136585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).