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

C22H19ClFN3O3 — CID 118936158

IUPACN-[(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
SMILESCc1ocnc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C22H19ClFN3O3/c1-12-19(26-11-30-12)22(29)27(20(21(25)28)13-5-3-2-4-6-13)18-8-7-15-16(18)9-14(23)10-17(15)24/h2-6,9-11,18,20H,7-8H2,1H3,(H2,25,28)/t18-,20-/m1/s1
InChIKeyJHHAFWJFAKEFIZ-UYAOXDASSA-N
MW427.86 g/mol
LogP4.13
Rot. Bonds5

About 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

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 (PubChem CID 118936158) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID118936158
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC NameN-[(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
SMILESCc1ocnc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C22H19ClFN3O3/c1-12-19(26-11-30-12)22(29)27(20(21(25)28)13-5-3-2-4-6-13)18-8-7-15-16(18)9-14(23)10-17(15)24/h2-6,9-11,18,20H,7-8H2,1H3,(H2,25,28)/t18-,20-/m1/s1
InChIKeyJHHAFWJFAKEFIZ-UYAOXDASSA-N
XLogP4.13
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118936062
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyridine-4-carboxamide
CID 87055620
N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
CID 144743649
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935261
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 118935717
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935454
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 118935172
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide
CID 142769372
N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118935807
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 87055207
N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 118935957

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ocnc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JHHAFWJFAKEFIZ-UYAOXDASSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c1-12-19(26-11-30-12)22(29)27(20(21(25)28)13-5-3-2-4-6-13)18-8-7-15-16(18)9-14(23)10-17(15)24/h2-6,9-11,18,20H,7-8H2,1H3,(H2,25,28)/t18-,20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 427.86 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118936158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).