N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide

C18H21FN4O2 — CID 167807370

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)C1(Cc2cn[nH]n2)CCOCC1
InChIInChI=1S/C18H21FN4O2/c19-15-3-1-2-14-13(15)4-5-16(14)21-17(24)18(6-8-25-9-7-18)10-12-11-20-23-22-12/h1-3,11,16H,4-10H2,(H,21,24)(H,20,22,23)
InChIKeyMUVLMACQGLLGBO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.09
Rot. Bonds4

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide (PubChem CID 167807370) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide
PubChem CID167807370
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)C1(Cc2cn[nH]n2)CCOCC1
InChIInChI=1S/C18H21FN4O2/c19-15-3-1-2-14-13(15)4-5-16(14)21-17(24)18(6-8-25-9-7-18)10-12-11-20-23-22-12/h1-3,11,16H,4-10H2,(H,21,24)(H,20,22,23)
InChIKeyMUVLMACQGLLGBO-UHFFFAOYSA-N
XLogP2.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
CID 120936384
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 110084497
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide (CID 167807370) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide is O=C(NC1CCc2c(F)cccc21)C1(Cc2cn[nH]n2)CCOCC1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is MUVLMACQGLLGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-3-1-2-14-13(15)4-5-16(14)21-17(24)18(6-8-25-9-7-18)10-12-11-20-23-22-12/h1-3,11,16H,4-10H2,(H,21,24)(H,20,22,23).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 167807370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).