N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C22H21FN2O3 — CID 86867822

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NC3CCc4c(F)cccc43)o2)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-15-7-5-14(6-8-15)20-13-24-22(28-20)12-11-21(26)25-19-10-9-16-17(19)3-2-4-18(16)23/h2-8,13,19H,9-12H2,1H3,(H,25,26)
InChIKeyTUYMCQXCXOEQKA-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.23
Rot. Bonds6

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 86867822) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID86867822
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NC3CCc4c(F)cccc43)o2)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-15-7-5-14(6-8-15)20-13-24-22(28-20)12-11-21(26)25-19-10-9-16-17(19)3-2-4-18(16)23/h2-8,13,19H,9-12H2,1H3,(H,25,26)
InChIKeyTUYMCQXCXOEQKA-UHFFFAOYSA-N
XLogP4.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methyl-2-oxooctanamide
CID 44349697
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5-(4-Methoxyphenyl)-2-phenyloxazole
CID 5325928
5-(5-(1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl)oxazol-2-yl)-2-isopropoxybenzonitrile
CID 58355073
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 17462096
N-[(3-fluoro-4-methylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24241345
N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24605354
3-[5-(2-Fluorophenyl)-1,3-oxazol-2-yl]-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 42932094
trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 45486759
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45863566
N-[1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 45872938
2-[Cyclopentyl-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 86867822) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)NC3CCc4c(F)cccc43)o2)cc1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is TUYMCQXCXOEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-15-7-5-14(6-8-15)20-13-24-22(28-20)12-11-21(26)25-19-10-9-16-17(19)3-2-4-18(16)23/h2-8,13,19H,9-12H2,1H3,(H,25,26).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 380.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 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)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 86867822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).