(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide

C16H21N3O2 — CID 126437755

IUPAC(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCCn1nc(CNC(=O)[C@]2(C)CCCO2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-3-19-14-8-5-4-7-12(14)13(18-19)11-17-15(20)16(2)9-6-10-21-16/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,17,20)/t16-/m0/s1
InChIKeyLVFMTLYVHDUSMN-INIZCTEOSA-N
MW287.36 g/mol
LogP2.24
Rot. Bonds4

About (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide

(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide (PubChem CID 126437755) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide
PubChem CID126437755
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCCn1nc(CNC(=O)[C@]2(C)CCCO2)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-3-19-14-8-5-4-7-12(14)13(18-19)11-17-15(20)16(2)9-6-10-21-16/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,17,20)/t16-/m0/s1
InChIKeyLVFMTLYVHDUSMN-INIZCTEOSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)acetamide
CID 4295387
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 89939558
N-(2,2-dimethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)propanamide
CID 4295610
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
CID 25124582
(2R)-N-cyclopropyl-N-[(1R)-1-[1-[2-(2-methoxyethoxy)ethyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 68310607
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 117877388
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 117877390
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 117877391
US10071974, Example 29
CID 121346581
US10071974, Example 30
CID 121346582
US10071974, Example 75
CID 121346619
US10071974, Example 23
CID 121346549

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide (CID 126437755) is (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide is CCn1nc(CNC(=O)[C@]2(C)CCCO2)c2ccccc21.
What is the InChIKey of (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide?
The InChIKey is LVFMTLYVHDUSMN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19-14-8-5-4-7-12(14)13(18-19)11-17-15(20)16(2)9-6-10-21-16/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide?
(2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylindazol-3-yl)methyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 126437755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).