N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

C21H27F2N3O2 — CID 53321495

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14?,17?,19-/m1/s1
InChIKeyGZZJGNXXRICIGM-ITXXBFQVSA-N
MW391.46 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 53321495) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID53321495
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14?,17?,19-/m1/s1
InChIKeyGZZJGNXXRICIGM-ITXXBFQVSA-N
XLogP3.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
Mls003170801
CID 332790
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-c][1,2]oxazol-5-yl]butan-1-one
CID 23645931
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
Cambridge id 5777587
CID 869900
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-4-isoxazolecarboxamide
CID 2813901
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 16667135
6-(4-fluorophenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305037

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 53321495) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GZZJGNXXRICIGM-ITXXBFQVSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14?,17?,19-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53321495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).