3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide

C14H12ClFN2O2 — CID 140712077

IUPAC3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1c([C@@H]2CCc3c(F)cc(Cl)cc32)noc1C(N)=O
InChIInChI=1S/C14H12ClFN2O2/c1-6-12(18-20-13(6)14(17)19)9-3-2-8-10(9)4-7(15)5-11(8)16/h4-5,9H,2-3H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyXUDCWSIHCQDMSJ-SECBINFHSA-N
MW294.71 g/mol
LogP2.95
Rot. Bonds2

About 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 140712077) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID140712077
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1c([C@@H]2CCc3c(F)cc(Cl)cc32)noc1C(N)=O
InChIInChI=1S/C14H12ClFN2O2/c1-6-12(18-20-13(6)14(17)19)9-3-2-8-10(9)4-7(15)5-11(8)16/h4-5,9H,2-3H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyXUDCWSIHCQDMSJ-SECBINFHSA-N
XLogP2.95
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 140712230
6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide
CID 140712069
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide
CID 140712188
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 118935802
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
CID 144743635
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 118936158
[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]azanium chloride
CID 159810414
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
CID 144743692
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide (CID 140712077) is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1c([C@@H]2CCc3c(F)cc(Cl)cc32)noc1C(N)=O.
What is the InChIKey of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XUDCWSIHCQDMSJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-6-12(18-20-13(6)14(17)19)9-3-2-8-10(9)4-7(15)5-11(8)16/h4-5,9H,2-3H2,1H3,(H2,17,19)/t9-/m1/s1.
What are the key properties of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide?
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140712077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).