3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C16H21N3O2 — CID 56686282

IUPAC3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-6-15-14(12)11-18-19(15)8-7-16(20)17-10-13-5-3-9-21-13/h2,4,6,11,13H,3,5,7-10H2,1H3,(H,17,20)
InChIKeyWVOVUWMKFSRULH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 56686282) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID56686282
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-6-15-14(12)11-18-19(15)8-7-16(20)17-10-13-5-3-9-21-13/h2,4,6,11,13H,3,5,7-10H2,1H3,(H,17,20)
InChIKeyWVOVUWMKFSRULH-UHFFFAOYSA-N
XLogP2.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 91960377
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2500205
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 5308120
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 56686282) is 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1cccc2c1cnn2CCC(=O)NCC1CCCO1.
What is the InChIKey of 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is WVOVUWMKFSRULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-2-6-15-14(12)11-18-19(15)8-7-16(20)17-10-13-5-3-9-21-13/h2,4,6,11,13H,3,5,7-10H2,1H3,(H,17,20).
What are the key properties of 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 56686282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).