(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide

C21H26N6O3 — CID 128966065

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NC(C)c2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C21H26N6O3/c1-15(16-3-5-18(6-4-16)27-14-22-13-24-27)25-21(28)19-7-9-30-20(19)17-11-23-26(12-17)8-10-29-2/h3-6,11-15,19-20H,7-10H2,1-2H3,(H,25,28)/t15?,19-,20+/m0/s1
InChIKeyPJEMCVHKWRRIKQ-RMSVRTADSA-N
MW410.48 g/mol
LogP2.07
Rot. Bonds8

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 128966065) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID128966065
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NC(C)c2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C21H26N6O3/c1-15(16-3-5-18(6-4-16)27-14-22-13-24-27)25-21(28)19-7-9-30-20(19)17-11-23-26(12-17)8-10-29-2/h3-6,11-15,19-20H,7-10H2,1-2H3,(H,25,28)/t15?,19-,20+/m0/s1
InChIKeyPJEMCVHKWRRIKQ-RMSVRTADSA-N
XLogP2.07
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide (CID 128966065) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)NC(C)c2ccc(-n3cncn3)cc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is PJEMCVHKWRRIKQ-RMSVRTADSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-15(16-3-5-18(6-4-16)27-14-22-13-24-27)25-21(28)19-7-9-30-20(19)17-11-23-26(12-17)8-10-29-2/h3-6,11-15,19-20H,7-10H2,1-2H3,(H,25,28)/t15?,19-,20+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 128966065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).