2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide

C24H20FN5O4 — CID 175682790

IUPAC2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCCN3)o1
InChIInChI=1S/C24H20FN5O4/c1-12-2-3-13(21-29-24(34-30-21)15-10-16(15)25)8-18(12)28-22(31)20-11-27-23(33-20)14-4-5-17-19(9-14)32-7-6-26-17/h2-5,8-9,11,15-16,26H,6-7,10H2,1H3,(H,28,31)/t15-,16-/m0/s1
InChIKeyMLTXVZGMXXLEJH-HOTGVXAUSA-N
MW461.45 g/mol
LogP4.58
Rot. Bonds5

About 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide

2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (PubChem CID 175682790) has the molecular formula C24H20FN5O4 and a molecular weight of 461.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
PubChem CID175682790
Molecular FormulaC24H20FN5O4
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCCN3)o1
InChIInChI=1S/C24H20FN5O4/c1-12-2-3-13(21-29-24(34-30-21)15-10-16(15)25)8-18(12)28-22(31)20-11-27-23(33-20)14-4-5-17-19(9-14)32-7-6-26-17/h2-5,8-9,11,15-16,26H,6-7,10H2,1H3,(H,28,31)/t15-,16-/m0/s1
InChIKeyMLTXVZGMXXLEJH-HOTGVXAUSA-N
XLogP4.58
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 175682543
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indazol-5-yl)-1,3-oxazole-5-carboxamide
CID 175682549
2-(2-aminopyrimidin-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682830
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide
CID 175682797
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 175682337
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 178051789
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 178051906
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyquinazoline-4-carboxamide
CID 178051533
3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984
5-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796616
(7R,8S)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7,8-dihydroxy-7,8-dihydroimidazo[1,2-a]pyridine-3-carboxamide
CID 178051580

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (CID 175682790) is 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCCN3)o1.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is MLTXVZGMXXLEJH-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H20FN5O4/c1-12-2-3-13(21-29-24(34-30-21)15-10-16(15)25)8-18(12)28-22(31)20-11-27-23(33-20)14-4-5-17-19(9-14)32-7-6-26-17/h2-5,8-9,11,15-16,26H,6-7,10H2,1H3,(H,28,31)/t15-,16-/m0/s1.
What are the key properties of 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).